OpenMolDB

Perfluoro-n-nonanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
463.07	1	0	3.75				nt1971	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Perfluoro-n-nonanoic acid anion]	3.04			25.0		Kenneth A. Connors 1995

Perfluoro-n-octanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
413.06	1	0	3.11				nt1972	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Perfluoro-n-octanoic acid anion]	2.88			25.0		Kenneth A. Connors 1995

Perfluorobutyric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
213.03	1	0	0.57				nt0767	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Perfluorobutyric acid anion]	1.46			25.0		Kenneth A. Connors 1995

Perfluorobutyric acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
213.03	1	0	0.57				nt1678	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Perfluorobutyric acid anion]	2.31			25.0		Kenneth A. Connors 1995

Perfluoroheptanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
363.05	1	0	2.48				nt0768	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Perfluoroheptanoic acid anion]	1.41			25.0		Kenneth A. Connors 1995

Perfluoroheptanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
363.05	1	0	2.48				nt1679	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Perfluoroheptanoic acid anion]	3.89			25.0		Kenneth A. Connors 1995

Perfluorononanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
463.07	1	0	3.75				nt0769	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Perfluorononanoic acid anion]	1.36			25.0		Kenneth A. Connors 1995

Perfluorononanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
463.07	1	0	3.75				nt1680	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Perfluorononanoic acid anion]	3.86			25.0		Kenneth A. Connors 1995

Perfluorooctanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
413.06	1	0	3.11				nt0770	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Perfluorooctanoic acid anion]	1.45			25.0		Kenneth A. Connors 1995

Perfluorooctanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
413.06	1	0	3.11				nt1681	None		Not checked

SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Perfluorooctanoic acid anion]	4.34			25.0		Kenneth A. Connors 1995

Ph-CH-CH3-ONO(2-phenylethyl nitrite)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_338	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ph-CH-CH3-ONO(2-phenylethyl nitrite)]	2.56	0.85	1.85	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH-CH3-ONO(2-phenylethyl nitrite)]	2.45	1.04	4.89	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH-CH3-ONO(2-phenylethyl nitrite)]	1.93	0.85	13.6	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH-CH3-ONO(2-phenylethyl nitrite)]	2.03	0.85	13.3	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH-CH3-ONO(2-phenylethyl nitrite)]	1.96	1.04	13.0	25.0	UV-vis spectroscopy	Emilia Iglesias 1998

Ph-CH2CH2-ONO(1-phenylethyl nitrite)

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_336	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.12	0.30	1.85	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.46	0.78		25.0	spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.07	0.90	13.3	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.04	0.90	13.6	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.05	0.78	12.7	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.07	0.30	13.0	25.0	UV-vis spectroscopy	Emilia Iglesias 1998
[b-Cyclodextrin](1).[Ph-CH2CH2-ONO(1-phenylethyl nitrite)]	2.45	1.20	11.35	25.0	UV-vis spectroscopy	Emilia Iglesias 1998

Ph-CHCH2CH3-ONO

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					JN_342	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Ph-CHCH2CH3-ONO]	2.72	1.18	4.89	25.0	UV-vis spectroscopy	Emilia Iglesias 1998

PhSe-b-CD

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					VD-0253	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[PhSe-b-CD](1).[acridine red]	3.56		6.0	25.0	Fluorescence spectroscopy	Yu Liu 2002

Phenacetin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
179.22	3	1	2.12				nt1682	None		Not checked

SMILES: CCOc1ccc(NC(C)=O)cc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Phenacetin]	2.25			25.0		Kenneth A. Connors 1995