OpenMolDB

1,10-bis(trimethylammonium)decane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
	None	None					SF_C904	None

SMILES:

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,10-bis(trimethylammonium)decane]	3.19	2.60	7.0	25.0	NMR spectroscopy	G. Wenz 1997
[a-Cyclodextrin](1).[1,10-bis(trimethylammonium)decane]	2.85	1.63	7.2	35.0	Microcalorimetric titrations	G. Wenz 1997
[a-Cyclodextrin](1).[1,10-bis(trimethylammonium)decane]	2.65		7.2	50.0	Microcalorimetric titrations	G. Wenz 1997

1,10-decanediol

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
174.28	2	2	2.09				SF_C1612	None		Not checked

SMILES: OCCCCCCCCCCO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,10-decanediol]	2.73	1.23		25.0	Calorimetry	Giuseppina Castronuovo 2002
[a-Cyclodextrin](1).[1,10-decanediol]	2.90	1.90	7.0	25.0	Calorimetry	Giuseppina Castronuovo 2002

1,10-diaminodecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.31	2	2	3.43				NT_a0057	None		Not checked

SMILES: NCCCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](0.7).[1,10-diaminodecane]	4.13	0.30		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,10-diaminodecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
172.31	2	2	3.43				SF_C37	None		Not checked

SMILES: NCCCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,10-diaminodecane]	4.13	0.30	7.0	25.0	NMR diffusion measurements	Cohen, Yoram 2002
[a-Cyclodextrin](1).[1,10-diaminodecane]	3.31	0.05		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,10-diaminodecane hydrochloride

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.77	2	3	4.23				NT_a0060	None		Not checked

SMILES: Cl.NCCCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1.7).[1,10-diaminodecane hydrochloride]	3.34	0.19		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,10-diaminodecane*HCl

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
208.77	3	3	4.23				SF_C40	None		Not checked

SMILES: NCCCCCCCCCCN.[H]Cl

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,10-diaminodecane*HCl]	3.34	0.19	7.0	25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,12-diaminododecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.36	2	2	4.21				NT_a0058	None		Not checked

SMILES: NCCCCCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](0.9).[1,12-diaminododecane]	3.85	0.27		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,12-diaminododecane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
200.36	2	2	4.21				SF_C38	None		Not checked

SMILES: NCCCCCCCCCCCCN

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,12-diaminododecane]	3.85	0.27	7.0	25.0	NMR diffusion measurements	Cohen, Yoram 2002
[a-Cyclodextrin](1).[1,12-diaminododecane]	3.86	0.06		25.0	NMR diffusion measurements	Cohen, Yoram 2002

1,2,3,4-tetrathiane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
156.31	4	0	2.68				JN_AO_3	None		Not checked

SMILES: C1CSSSS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,3,4-tetrathiane]	-2.45			25.0	gas chromatography-mass spectrometry, scanning electron microscopy	Takeshi Furuta 2005

1,2,3,5,6-pentathiepane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
188.38	5	0	3.33				JN_AO_4	None		Not checked

SMILES: C1SSCSSS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,3,5,6-pentathiepane]	-2.28			25.0	gas chromatography-mass spectrometry, scanning electron microscopy	Takeshi Furuta 2005

1,2,3-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt0862	None		Not checked

SMILES: Cc1cccc(C)c1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,3-Trimethylbenzene]	1.11			25.0		Kenneth A. Connors 1995

1,2,3-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt1819	None		Not checked

SMILES: Cc1cccc(C)c1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[1,2,3-Trimethylbenzene]	2.26			25.0		Kenneth A. Connors 1995

1,2,3-Trimethylbenzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				nt1998	None		Not checked

SMILES: Cc1cccc(C)c1C

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[1,2,3-Trimethylbenzene]	2.46			25.0		Kenneth A. Connors 1995

1,2,3-trimethyl-benzene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
120.19	0	0	2.61				VR_C196	None		Not checked

SMILES: Cc1cccc(C)c1C

Supramolecules

Name	log K	SD	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,3-trimethyl-benzene]	1.71	1.04	25.0	GC (SHSGC)	É. Fenyvesi 2005
[b-Cyclodextrin](1).[1,2,3-trimethyl-benzene]	2.37	1.46	25.0	GC (SHSGC)	É. Fenyvesi 2005
[g-Cyclodextrin](1).[1,2,3-trimethyl-benzene]	2.24	1.48	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[1,2,3-trimethyl-benzene]	2.35	1.45	25.0	GC (SHSGC)	É. Fenyvesi 2005
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[1,2,3-trimethyl-benzene]	2.29	1.46	25.0	GC (SHSGC)	É. Fenyvesi 2005
[Acetylated-b-Cyclodextrin (DS ~7) water soluble](1).[1,2,3-trimethyl-benzene]	2.73	1.89	25.0	GC (SHSGC)	É. Fenyvesi 2005

1,2,4 trithiolane

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
124.25	3	0	2.03				JN_AO_1	None		Not checked

SMILES: C1SCSS1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[1,2,4 trithiolane]	-2.57			25.0	gas chromatography-mass spectrometry, scanning electron microscopy	Takeshi Furuta 2005