OpenMolDB

p-nitroaniline

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
138.12	2	1	2.28				JN_453	None		Not checked

SMILES: Nc1ccc(cc1)[N+]([O-])=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[DIMEA](1).[p-nitroaniline]	3.48			25.0	circular dichroism	Yoshihisa Inoue 1993

p-nitrobenzene derivative 1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C510	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 1]	3.00	1.40	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 1]	1.18	0.08	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 1]	3.03	1.70	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 1

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C519	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref

p-nitrobenzene derivative 11

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C520	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 11]	3.56	1.95	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 11]	4.24	2.49	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 12

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C521	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 12]	3.00	1.60	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](1).[p-nitrobenzene derivative 12]	3.00	1.78	2.5	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 12]	1.41	0.08	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 12]	1.93	0.70	2.5	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 12]	2.54	1.65	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 13

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C522	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 13]	3.07	1.18	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](1).[p-nitrobenzene derivative 13]	3.02	1.40	2.5	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 13]	2.82	1.70	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 2

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C511	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 2]	3.07	1.60	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 2]	2.85	1.40	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 3

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C512	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 3]	3.16	1.54	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 3]	1.52	0.15	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 3]	2.96	1.70	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 4

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C513	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 4]	3.06	1.78	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 4]	2.77	1.48	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 5

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C514	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 5]	2.50	1.70	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 5]	2.24	1.40	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 6

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C515	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 6]	2.70	1.85	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 6]	3.16	1.81	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 7

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C516	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 7]	3.08	1.48	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 7]	1.89	0.28	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 7]	2.88	1.48	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 8

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C517	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 8]	3.33	2.08	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[a-Cyclodextrin](0.5).[p-nitrobenzene derivative 8]	2.37	1.18	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 8]	3.11	1.60	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzene derivative 9

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C518	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[p-nitrobenzene derivative 9]	3.13	1.40	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003
[b-Cyclodextrin](1).[p-nitrobenzene derivative 9]	3.42	1.54	6.0	25.0	UV-vis spectroscopy	Renato Noto 2003

p-nitrobenzenediazonium

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
150.11	2	0	2.60				SF_C871	None		Not checked

SMILES: [O-][N+](=O)c1ccc(cc1)[N+]#N

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[p-nitrobenzenediazonium]	3.36		5.0	25.0	Differential pulse polarography	Carlos Bravo-Diaz 2002
[b-Cyclodextrin](1).[p-nitrobenzenediazonium]	3.42		5.0	25.0	UV-vis spectroscopy	Carlos Bravo-Diaz 2002