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

Formula:C18H11N3O3BrClS Mutagenic:high Tumorigenic:high Reproductive Effective:none [(E)-[2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 2-chlorobenzoate is a drug-like molecule.

MolName	[(E)-[2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 2-chlorobenzoate
MolecularFormula	C18H11N3O3BrClS
Smiles	NC(/C(/c1nc(-c(cc2)ccc2Br)cs1)=N\OC(c(cccc1)c1Cl)=O)=O
InChI	InChI=1S/C18H11BrClN3O3S/c19-11-7-5-10(6-8-11)14-9-27-17(22-14)15(16(21)24)23-26-18(25)12-3-1-2-4-13(12)20/h1-9H,(H2,21,24)
InChIK	PIEPJFSDDNUTTR-UHFFFAOYSA-N
TotalMolweight	464.726
Molweight	464.726
MonoisotopicMass	462.9393
CLogP	4.0934
CLogS	-6.06
H Acceptors	6
H Donors	1
TotalSurfaceArea	298.52
Relative PSA	0.31552
PolarSurfaceArea	122.88
Druglikeness	-0.089114
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-bromophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 2-chlorobenzoate | 2 - [(E)-[2-amino-1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-oxoethylidene]amino] 2-chlorobenzoate

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