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

Formula:C18H12N3O3ClS Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] benzoate is a drug-like molecule.

MolName	[(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] benzoate
MolecularFormula	C18H12N3O3ClS
Smiles	NC(/C(/c1nc(-c(cc2)ccc2Cl)cs1)=N\OC(c1ccccc1)=O)=O
InChI	InChI=1S/C18H12ClN3O3S/c19-13-8-6-11(7-9-13)14-10-26-17(21-14)15(16(20)23)22-25-18(24)12-4-2-1-3-5-12/h1-10H,(H2,20,23)
InChIK	MNUAQOCHIXMRGD-UHFFFAOYSA-N
TotalMolweight	385.83
Molweight	385.83
MonoisotopicMass	385.028789
CLogP	3.3682
CLogS	-5.226
H Acceptors	6
H Donors	1
TotalSurfaceArea	279.89
Relative PSA	0.33653
PolarSurfaceArea	122.88
Druglikeness	1.7009
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
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] benzoate | 2 - [(E)-[2-amino-1-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] benzoate

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