OpenMolDB

toluene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
92.14	0	0	1.99				SF_C552	None		Not checked

SMILES: Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[toluene]	2.34		7.0	25.0	Gas chromatography	G.W. Meindersma 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[toluene]	2.16	0.70		25.0	GC (SHSGC)	É. Fenyvesi 2005

toluene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
92.14	0	0	1.99				VR_C190	None		Not checked

SMILES: Cc1ccccc1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[toluene]	1.46	0.90	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[toluene]	1.52	0.78	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[toluene]	2.71	1.43	25.0	GC (SHSGC)	É. Fenyvesi 2005

trans-1,2-Cyclohexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	2	0.28				nt0242	None		Not checked

SMILES: O[C@@H]1CCCC[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-1,2-Cyclohexanediol]	1.23			25.0		Kenneth A. Connors 1995
[a-Cyclodextrin](1).[trans-1,2-Cyclohexanediol]	1.61	1.04	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2000

trans-1,2-Cyclohexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	2	0.28				SF_C1482	None		Not checked

SMILES: O[C@@H]1CCCC[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

trans-1,2-Cyclopentanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	2	2	-0.11				SF_C1480	None		Not checked

SMILES: O[C@@H]1CCC[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-1,2-Cyclopentanediol]	1.84	1.20	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2000
[a-Cyclodextrin](1).[trans-1,2-Cyclopentanediol]	4.43		5.0	25.0	Calorimetric titrations	H.-J. Buschmann 2000

trans-1,2-bis(4-pyridyl)ethylene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
182.22	2	0	2.65				SF_C1187	None		Not checked

SMILES: c1cc(ccn1)\C=C\c2ccncc2

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-1,2-bis(4-pyridyl)ethylene]	1.52	0.30	7.0	25.0	UV-vis spectroscopy	Donal H. Macartney 2000
[a-Cyclodextrin](1).[trans-1,2-bis(4-pyridyl)ethylene]	1.71	0.30	7.0	25.0	NMR spectroscopy	Donal H. Macartney 2000

trans-1,2-cyclohexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	2	0.28				nt1130	None		Not checked

SMILES: O[C@@H]1CCCC[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[trans-1,2-cyclohexanediol]	1.79			25.0		Kenneth A. Connors 1995

trans-1,2-cyclohexanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
116.16	2	2	0.28				nt1131	None		Not checked

SMILES: O[C@@H]1CCCC[C@H]1O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

trans-Cinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
148.16	2	1	1.78				nt0204	None		Not checked

SMILES: OC(=O)\C=C\c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-Cinnamic acid]	3.35			25.0		Kenneth A. Connors 1995

trans-Cinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
148.16	2	1	1.78				nt0205	None		Not checked

SMILES: OC(=O)\C=C\c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

trans-Cinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
148.16	2	1	1.78				nt1095	None		Not checked

SMILES: OC(=O)\C=C\c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[trans-Cinnamic acid]	2.57			25.0		Kenneth A. Connors 1995

trans-Cinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.15	1	0	0.45				nt0206	None		Not checked

SMILES: O=C([O-])/C=C/C1=CC=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-Cinnamic acid anion]	2.04			25.0		Kenneth A. Connors 1995

trans-Cinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.15	1	0	0.45				nt0207	None		Not checked

SMILES: O=C([O-])/C=C/C1=CC=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

trans-Cinnamic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
147.15	1	0	0.45				nt1096	None		Not checked

SMILES: O=C([O-])/C=C/C1=CC=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[trans-Cinnamic acid anion]	2.50			25.0		Kenneth A. Connors 1995

trans-[[[4'-[(4-butylphenyl)azo]phenyl]oxy]ethyl]trimethylammonuim bromide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VR_C10	None

SMILES:

Supramolecules

Name	log K	T(°C)	Method	Ref
[a-Cyclodextrin](1).[trans-[[[4'-[(4-butylphenyl)azo]phenyl]oxy]ethyl]trimethylammonuim bromide]	1.70	25.0	Induced circular dichroism	Keishiro Shiahama 1996
[a-Cyclodextrin](1).[trans-[[[4'-[(4-butylphenyl)azo]phenyl]oxy]ethyl]trimethylammonuim bromide]	1.57	25.0	Electromotive force potentiometric titration	Keishiro Shiahama 1996
[b-Cyclodextrin](1).[trans-[[[4'-[(4-butylphenyl)azo]phenyl]oxy]ethyl]trimethylammonuim bromide]	1.40	25.0	Induced circular dichroism	Keishiro Shiahama 1996
[b-Cyclodextrin](1).[trans-[[[4'-[(4-butylphenyl)azo]phenyl]oxy]ethyl]trimethylammonuim bromide]	1.26	25.0	Electromotive force potentiometric titration	Keishiro Shiahama 1996