OpenMolDB

Toluene

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
92.14	0	0	1.99				SF_C145	None		Not checked

SMILES: Cc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[2-O-(2-Hydroxy)propyl-b-Cyclodextrin](1).[Toluene]	2.21		7.0	30.0	Solubility method, titration method	Sophie Fourmentin 2006
[Randomly methylated-b-Cyclodextrin (DS ~12)](1).[Toluene]	2.23		7.0	30.0	Solubility method, titration method	Sophie Fourmentin 2006

Triacetin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
218.20	6	0	0.04				nt0852	None		Not checked

SMILES: CC(=O)OCC(COC(C)=O)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Triacetin]	1.08			25.0		Kenneth A. Connors 1995

Triacetin

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
218.20	6	0	0.04				nt1812	None		Not checked

SMILES: CC(=O)OCC(COC(C)=O)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Triacetin]	1.15			25.0		Kenneth A. Connors 1995

Triamcinolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
394.43	6	4	0.62				nt0853	None		Not checked

SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Triamcinolone]	2.08			25.0		Kenneth A. Connors 1995

Triamcinolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
394.43	6	4	0.62				nt1813	None		Not checked

SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Triamcinolone]	3.37			25.0		Kenneth A. Connors 1995

Triamcinolone

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
394.43	6	4	0.62				nt1995	None		Not checked

SMILES: C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Triamcinolone]	3.59			25.0		Kenneth A. Connors 1995

Triamcinolone acetonide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.42				nt0854	None		Not checked

SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Triamcinolone acetonide]	2.41			25.0		Kenneth A. Connors 1995

Triamcinolone acetonide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.42				nt1814	None		Not checked

SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Triamcinolone acetonide]	3.51			25.0		Kenneth A. Connors 1995

Triamcinolone acetonide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
434.50	6	2	2.42				nt1996	None		Not checked

SMILES: CC1(C)O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Triamcinolone acetonide]	4.42			25.0		Kenneth A. Connors 1995

Triamcinolone diacetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
478.51	8	2	1.76				nt0855	None		Not checked

SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Triamcinolone diacetate]	2.48			25.0		Kenneth A. Connors 1995

Triamcinolone diacetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
478.51	8	2	1.76				nt1815	None		Not checked

SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Triamcinolone diacetate]	3.55			25.0		Kenneth A. Connors 1995

Triamcinolone diacetate

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
478.51	8	2	1.76				nt1997	None		Not checked

SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@@H](C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)OC(C)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[g-Cyclodextrin](1).[Triamcinolone diacetate]	4.08			25.0		Kenneth A. Connors 1995

Trifluoroacetanilide

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
189.13	2	1	2.26				nt1816	None		Not checked

SMILES: FC(F)(F)C(=O)Nc1ccccc1

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[b-Cyclodextrin](1).[Trifluoroacetanilide]	1.94			25.0		Kenneth A. Connors 1995

Trimethylacetic acid

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
102.13	2	1	1.12				nt0861	None		Not checked

SMILES: CC(C)(C)C(O)=O

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Trimethylacetic acid]	1.18			25.0		Kenneth A. Connors 1995

Triprolidine

MW	HBA	HBD	LogP	CAS	Suppliers	Supplier IDs	Storage ID	Quantity	Class	PAINS
278.39	2	0	3.86				nt0866	None		Not checked

SMILES: Cc1ccc(cc1)\C(=C/CN2CCCC2)c3ccccn3

Supramolecules

Name	log K	SD	pH	T(°C)	Method	Ref
[a-Cyclodextrin](1).[Triprolidine]	1.75			25.0		Kenneth A. Connors 1995