OpenMolDB

n-Octanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
144.21	2	1	2.43				nt1644	None		Not checked

SMILES: CCCCCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Octanoic acid]	3.21			25.0		Kenneth A. Connors 1995

n-Octanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
143.20	1	0	1.10				nt0732	None		Not checked

SMILES: CCCCCCCC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-Octanoic acid anion]	2.95			25.0		Kenneth A. Connors 1995

n-Octanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
143.20	1	0	1.10				nt1645	None		Not checked

SMILES: CCCCCCCC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Octanoic acid anion]	2.85			25.0		Kenneth A. Connors 1995

n-Octanol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
130.23	1	1	2.34				SF_C1005	None		Not checked

SMILES: CCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Octanol]	3.17	2.59	7.0	25.0	Fluorescence spectroscopy	Xinzhen Du 2006

n-PenCO2-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1282	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-PenCO2-]	2.41	0.82	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993
[b-Cyclodextrin](1).[n-PenCO2-]	1.80	0.59	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

n-PenSO3-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1273	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-PenSO3-]	2.19	0.39	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

n-Pentane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
72.15	0	0	2.20				nt0741	None		Not checked

SMILES: CCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-Pentane]	0.90			25.0		Kenneth A. Connors 1995

n-Pentane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
72.15	0	0	2.20				nt1653	None		Not checked

SMILES: CCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Pentane]	1.70			25.0		Kenneth A. Connors 1995

n-Pentane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
72.15	0	0	2.20				nt1968	None		Not checked

SMILES: CCCCC

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[n-Pentane]	0.78			25.0		Kenneth A. Connors 1995

n-Pentanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	2	1	1.26				nt0744	None		Not checked

SMILES: CCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-Pentanoic acid]	2.73			25.0		Kenneth A. Connors 1995

n-Pentanoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	2	1	1.26				nt1654	None		Not checked

SMILES: CCCCC(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Pentanoic acid]	1.96			25.0		Kenneth A. Connors 1995

n-Pentanoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
101.12	1	0	-0.07				nt0745	None		Not checked

SMILES: CCCCC([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-Pentanoic acid anion]	1.88			25.0		Kenneth A. Connors 1995

n-PrCO2-

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C1280	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-PrCO2-]	1.05	-0.12	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993
[b-Cyclodextrin](1).[n-PrCO2-]	0.59	-1.22	11.6	25.0	UV-vis spectroscopy	Oswald S. Tee 1993

n-Propyl 4-hydroxybenzoate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
180.20	3	1	1.96				nt1744	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[n-Propyl 4-hydroxybenzoate]	2.97			25.0		Kenneth A. Connors 1995

n-Propylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.64				nt0810	None		Not checked

SMILES: CCCc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[n-Propylbenzene]	2.77			25.0		Kenneth A. Connors 1995