OpenMolDB

phenantrene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C44	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenantrene]	3.09		7.0	22.0	UV/VIS spectrometry	Khalil Hanna 2004
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenantrene]	3.44		7.0	22.0	UV/VIS spectrometry	Khalil Hanna 2004

phenobarbital

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
232.24	5	2	1.36				JN_291	None		Not checked

SMILES: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2

Supramolecules

Name	log K	SD	pH	Method	Ref
[a-Cyclodextrin](1).[phenobarbital]	1.30		8.7	freezing point depression method	Masahiko Suzuki 1993
[a-Cyclodextrin](1).[phenobarbital]	1.30			UV spectroscopy	Masahiko Suzuki 1993
[a-Cyclodextrin](2).[phenobarbital]	0.69	-0.52	8.7	freezing point depression method	Masahiko Suzuki 1993
[a-Cyclodextrin](2).[phenobarbital]	0.83			UV spectroscopy	Masahiko Suzuki 1993

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				NT_a0053	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin].[phenol]	1.94		25.0	near-infrared spectrometry	Tran, Chieu D. 2002
[b-Cyclodextrin].[phenol]	2.33		25.0	near-infrared spectrometry	Tran, Chieu D. 2002
[g-Cyclodextrin].[phenol]	1.60	0.78	25.0	near-infrared spectrometry	Tran, Chieu D. 2002

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				SF_C105	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[Heptakis(2,6-di-O-Methyl)-b-Cyclodextrin (DS ~14) isomeric purity >50%](1).[phenol]	1.52	1.08			SPR experiments	Michael J. Sepaniak 2003
[Heptakis(6-O-tert-butyldimethylsilyl-2,3-di-O-acetyl)-b-CD](1).[phenol]	1.38	0.60			SPR experiments	Michael J. Sepaniak 2003

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				SF_C615	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenol]	1.70		5.0	25.0	Capillary electrophoresis	Thomas Le Saux 2006
[b-Cyclodextrin](1).[phenol]	1.90		5.0	25.0	Microchip electrophoresis	Thomas Le Saux 2006
[b-Cyclodextrin](1).[phenol]	2.02		5.8	20.0	UV-vis spectroscopy; spectral displacement method	D. Landy 2000
[b-Cyclodextrin](1).[phenol]	1.98	0.78	5.8	20.0	UV-vis spectroscopy	D. Landy 2000
[b-Cyclodextrin](1).[phenol]	2.08	1.18	7.0	20.0	NMR spectroscopy	D. Landy 2000
[b-Cyclodextrin](1).[phenol]	2.33			23.0	NIR spectroscopy	Chieu D. Tran 1995
[b-Cyclodextrin](1).[phenol]	1.86		7.0		UV/VIS Spectroscopy	Qing-Xhiang Guo 2001
[b-Cyclodextrin](1).[phenol]	1.98	0.62		25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[b-Cyclodextrin](1).[phenol]	2.11	0.70		25.0	absorption spectroscopy, NMR	Sanyo Hamai 1997
[b-Cyclodextrin](1).[phenol]	1.60	0.30				Qing-Xiang Guo 1998

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				SF_C726	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				VR_C01	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenol]	1.94		23.0	NIR spectroscopy	Chieu D. Tran 1995
[a-Cyclodextrin](1).[phenol]	1.61	0.28	25.0	Uv-vis and fluorescence spectroscopy	Qing-Xiang Guo 1998
[a-Cyclodextrin](1).[phenol]	1.57	0.60			Qing-Xiang Guo 1998

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				VR_C162	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				JN_86	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

phenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
94.11	1	1	1.39				SF_C449	None		Not checked

SMILES: Oc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenol ]	1.27	0.11	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[b-Cyclodextrin](1).[phenol ]	1.78	0.76	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[g-Cyclodextrin](1).[phenol ]	0.41	0.15	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[phenol ]	1.72	0.75	7.0	22.0	NMR titration	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenol ]	0.64	0.40	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-a-Cyclodextrin](1).[phenol ]	1.03	0.60	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenol ]	0.88	-0.15	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Sulfated-b-Cyclodextrin](1).[phenol ]	1.23	0.96	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenol ]	1.47	-0.05	8.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006
[Carboxymethylated-b-Cyclodextrin (DS ~3.5)](1).[phenol ]	1.36	0.32	4.5	22.0	affinity capillary electrophoresis	Daniel W. Armstrong 2006

phenolate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
93.10	0	0	1.83				VR_C02	None		Not checked

SMILES: [O-]c1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[phenolate]	1.63			23.0	NIR spectroscopy	Chieu D. Tran 1995
[b-Cyclodextrin](1).[phenolate]	2.27			23.0	NIR spectroscopy	Chieu D. Tran 1995

phenolate ion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
93.10	0	0	1.83				JN_172	None		Not checked

SMILES: [O-]C1=CC=CC=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolate ion]	1.18			25.0	absorption spectroscopy, NMR	Sanyo Hamai 1997

phenolphtalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				SF_C1656	None		Not checked

SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[phenolphtalein]	4.39	2.30		25.0	UV-vis spectroscopy	B. Tutaj 2005
[b-Cyclodextrin](1).[phenolphtalein]	4.39	2.00	11.0	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[b-Cyclodextrin](1).[phenolphtalein]	4.37	2.00	11.4	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[b-Cyclodextrin](1).[phenolphtalein]	4.37	2.00	11.6	25.0	UV and NMR spectroscopy	Yoshihisa Matsui 1994
[b-Cyclodextrin](1).[phenolphtalein]	4.87		10.5	10.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	4.60		10.5	20.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	4.34		10.5	30.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	4.08		10.5	40.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	3.88		10.5	50.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	3.64		10.5	60.0	UV-vis spectroscopy	Henryk Lamparczyk 1998
[b-Cyclodextrin](1).[phenolphtalein]	2.41		10.5	70.0	UV-vis spectroscopy	Henryk Lamparczyk 1998

phenolphtalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				JN_O_7	None		Not checked

SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

phenolphtalein

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
318.32	4	2	3.56				JN_112	None		Not checked

SMILES: C1=CC=C2C(=C1)C(=O)OC2(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref