3-[[4-chloro-5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate

Formula:C19H12N3O4Cl2S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate is a drug-like molecule.

MolName	3-[[4-chloro-5-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoate
MolecularFormula	C19H12N3O4Cl2S
Smiles	[O-]C(c1cccc(CN(C(Cl)=C(/C=N\NC(c(cccc2)c2Cl)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C19H13Cl2N3O4S/c20-14-7-2-1-6-13(14)17(25)23-22-9-15-16(21)24(19(28)29-15)10-11-4-3-5-12(8-11)18(26)27/h1-9H,10H2,(H,23,25)(H,26,27)/p-1
InChIK	PMDXGEQVRGTTOG-UHFFFAOYSA-M
TotalMolweight	449.293
Molweight	449.293
MonoisotopicMass	447.992556
CLogP	1.587
CLogS	-6.077
H Acceptors	7
H Donors	1
TotalSurfaceArea	311.83
Relative PSA	0.31238
PolarSurfaceArea	127.2
Druglikeness	7.456
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.58621
Fragments	1
Non HAtoms	29
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Amides	1
AcidicOxygens	1
StereoCon

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