p-hydroxybenzoic acid amyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
208.25 3 1 2.74 SF_C1786 None Not checked

SMILES: CCCCCOC(=O)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid amyl ester] 3.68 7.4 25.0 HPLC-method B.W. Müller 1993

p-hydroxybenzoic acid benzyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
228.24 3 1 2.75 SF_C1787 None Not checked

SMILES: Oc1ccc(cc1)C(=O)OCc2ccccc2

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid benzyl ester] 3.78 7.4 25.0 HPLC-method B.W. Müller 1993

p-hydroxybenzoic acid butyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
194.23 3 1 2.35 SF_C1785 None Not checked

SMILES: CCCCOC(=O)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid butyl ester] 3.53 7.4 25.0 HPLC-method B.W. Müller 1993

p-hydroxybenzoic acid ethyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
166.17 3 1 1.57 SF_C1783 None Not checked

SMILES: CCOC(=O)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid ethyl ester] 2.98 7.4 25.0 HPLC-method B.W. Müller 1993

p-hydroxybenzoic acid methyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
152.15 3 1 1.18 SF_C1782 None Not checked

SMILES: COC(=O)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid methyl ester] 2.99 7.4 25.0 HPLC-method B.W. Müller 1993

p-hydroxybenzoic acid propyl ester
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
180.20 3 1 1.96 SF_C1784 None Not checked

SMILES: CCCOC(=O)c1ccc(O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-hydroxybenzoic acid propyl ester] 3.19 7.4 25.0 HPLC-method B.W. Müller 1993

p-isopropyl-nitrobenzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
165.19 1 0 3.24 SF_C1203 None Not checked

SMILES: CC(C)c1ccc(cc1)[N+]([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[p-isopropyl-nitrobenzene] 3.16 1.81 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[b-Cyclodextrin](1).[p-isopropyl-nitrobenzene] 3.04 2.40 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[b-Cyclodextrin](1).[p-isopropyl-nitrobenzene] 3.04 2.11 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 2.78 2.08 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 2.82 1.70 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 2.89 1.95 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 2.84 2.00 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 2.95 2.00 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-isopropyl-nitrobenzene] 3.10 2.04 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.60 1.70 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.79 1.95 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.68 2.18 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.72 1.85 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.88 2.00 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-isopropyl-nitrobenzene] 2.79 2.00 11.0 25.0 UV-vis spectroscopy Renato Noto 2002

p-methxy-nitrobenzene
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
None None SF_C1204 None

SMILES:

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[p-methxy-nitrobenzene] 2.24 1.48 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[b-Cyclodextrin](1).[p-methxy-nitrobenzene] 2.31 1.78 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[b-Cyclodextrin](1).[p-methxy-nitrobenzene] 2.23 1.30 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 1.93 1.30 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 2.29 1.78 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-amino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 2.38 1.40 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 2.02 1.40 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 2.33 1.40 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-(6-N,N-dimethylamino-6-deoxy)-b-CD](1).[p-methxy-nitrobenzene] 2.72 1.78 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 2.45 1.48 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 2.53 1.54 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-aminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 2.30 1.40 11.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 1.90 1.18 6.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 2.35 1.81 8.0 25.0 UV-vis spectroscopy Renato Noto 2002
[mono-6-(2-N,N-dimethylaminoethyl)-amino-6-deoxy-b-CD](1).[p-methxy-nitrobenzene] 2.16 1.65 11.0 25.0 UV-vis spectroscopy Renato Noto 2002

p-methyl red
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
269.30 5 1 3.87 SF_C1698 None Not checked

SMILES: CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[p-methyl red] 4.22 2.78 6.8 25.0 Conductivity measurements Khalid M. Tawarah 1993

p-methyl-phenylacetate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
149.17 1 0 0.29 JN_195 None Not checked

SMILES: Cc1ccc(CC([O-])=O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[a-Cyclodextrin](1).[p-methyl-phenylacetate] 1.93 9.0 25.0 spectophotometry Yoshihiro Taniguchi 1982

p-methylphenyl hydrogen maleate
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
206.19 4 1 1.54 SF_C30 None Not checked

SMILES: Cc1ccc(OC(=O)\C=C/C(O)=O)cc1

Supramolecules

Namelog KSDpHT(°C)MethodRef
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[p-methylphenyl hydrogen maleate] 1.91 1.15 2.0 25.0 UV/VIS spectrometry Rita H. de Rossi 2005

p-nitroaniline
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
138.12 2 1 2.28 NT_b0132 None Not checked

SMILES: Nc1ccc(cc1)[N+]([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[modified-a-cyclodextrin (35)](1).[p-nitroaniline] 3.48 7.2 25.0 Calorimetry Yu Liu 1998

p-nitroaniline
MW HBA HBD LogP CAS Suppliers Supplier IDs Storage ID Quantity Class PAINS
138.12 2 1 2.28 JN_430 None Not checked

SMILES: Nc1ccc(cc1)[N+]([O-])=O

Supramolecules

Namelog KSDpHT(°C)MethodRef
[b-Cyclodextrin](1).[p-nitroaniline] 1.63 23.0 reverse-phase liquid chromatography (RPLC) Kazumi Fujimura 1986