OpenMolDB

2-Naphthoyltrifluoroacetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.22	2	0	3.54				nt1550	None		Not checked

SMILES: FC(F)(F)C(=O)CC(=O)c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Naphthoyltrifluoroacetone]	3.12			25.0		Kenneth A. Connors 1995

2-Naphthoyltrifluoroacetone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
266.22	2	0	3.54				nt1954	None		Not checked

SMILES: FC(F)(F)C(=O)CC(=O)c1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[2-Naphthoyltrifluoroacetone]	3.12			25.0		Kenneth A. Connors 1995

2-Naphthylamine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
143.19	1	1	3.00				nt1553	None		Not checked

SMILES: Nc1ccc2ccccc2c1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Naphthylamine]	3.81			25.0		Kenneth A. Connors 1995

2-Naphthylamine cation

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
142.18	0	1	2.75				nt1554	None		Not checked

SMILES: [NH+3]C1=CC=C2C=CC=CC2=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Naphthylamine cation]	2.35			25.0		Kenneth A. Connors 1995

2-Naphthyloxyacetic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
201.20	2	0	0.97				nt1557	None		Not checked

SMILES: O=C([O-])COC1=CC=C2C=CC=CC2=C1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Naphthyloxyacetic acid anion]	2.75			25.0		Kenneth A. Connors 1995

2-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt0639	None		Not checked

SMILES: OC(=O)c1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-NitroBenzoic acid]	1.92			25.0		Kenneth A. Connors 1995

2-NitroBenzoic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
167.12	3	1	1.82				nt1579	None		Not checked

SMILES: OC(=O)c1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-NitroBenzoic acid]	3.08			25.0		Kenneth A. Connors 1995

2-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt0640	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-NitroBenzoic acid anion]	0.61			25.0		Kenneth A. Connors 1995

2-NitroBenzoic acid anion

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
166.11	2	0	0.48				nt1580	None		Not checked

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

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-NitroBenzoic acid anion]	2.77			25.0		Kenneth A. Connors 1995

2-Nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				nt0631	None		Not checked

SMILES: Nc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Nitroaniline]	1.36			25.0		Kenneth A. Connors 1995

2-Nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				nt1570	None		Not checked

SMILES: Nc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Nitroaniline]	3.12			25.0		Kenneth A. Connors 1995

2-Nitrobenzyl alcohol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
153.14	2	1	1.61				nt0660	None		Not checked

SMILES: OCc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Nitrobenzyl alcohol]	0.95			25.0		Kenneth A. Connors 1995

2-Nitrocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
193.16	3	1	2.22				nt0663	None		Not checked

SMILES: OC(=O)C=Cc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Nitrocinnamic acid]	2.01			25.0		Kenneth A. Connors 1995

2-Nitrocinnamic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
193.16	3	1	2.22				nt1585	None		Not checked

SMILES: OC(=O)C=Cc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[2-Nitrocinnamic acid]	2.68			25.0		Kenneth A. Connors 1995

2-Nitrophenol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
139.11	2	1	1.82				nt0669	None		Not checked

SMILES: Oc1ccccc1[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[2-Nitrophenol]	0.90			25.0		Kenneth A. Connors 1995