[(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 3-chlorobenzoate

Formula:C18H11N3O3Cl2S Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 3-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 3-chlorobenzoate
MolecularFormula	C18H11N3O3Cl2S
Smiles	NC(/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N\OC(c1cccc(Cl)c1)=O)=O
InChI	InChI=1S/C18H11Cl2N3O3S/c19-12-6-4-10(5-7-12)14-9-27-17(22-14)15(16(21)24)23-26-18(25)11-2-1-3-13(20)8-11/h1-9H,(H2,21,24)
InChIK	YGMZEOCXPNEMBD-UHFFFAOYSA-N
TotalMolweight	420.275
Molweight	420.275
MonoisotopicMass	418.989816
CLogP	3.9742
CLogS	-5.962
H Acceptors	6
H Donors	1
TotalSurfaceArea	295.31
Relative PSA	0.31895
PolarSurfaceArea	122.88
Druglikeness	1.7009
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59259
Fragments	1
Non HAtoms	27
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
StereoCon

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1 - [(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 3-chlorobenzoate | 2 - [(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 3-chlorobenzoate

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