3-[[4-chloro-5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid

Formula:C19H13N4O6ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[4-chloro-5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-5-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C19H13N4O6ClS
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C\C(SC(N1Cc2cc(C(O)=O)ccc2)=O)=C1Cl)=O)=O
InChI	InChI=1S/C19H13ClN4O6S/c20-16-15(9-21-22-17(25)12-4-6-14(7-5-12)24(29)30)31-19(28)23(16)10-11-2-1-3-13(8-11)18(26)27/h1-9H,10H2,(H,22,25)(H,26,27)
InChIK	QCKRFOKDDOCWGH-UHFFFAOYSA-N
TotalMolweight	460.853
Molweight	460.853
MonoisotopicMass	460.024433
CLogP	2.1354
CLogS	-5.801
H Acceptors	10
H Donors	2
TotalSurfaceArea	318.9
Relative PSA	0.39715
PolarSurfaceArea	170.19
Druglikeness	2.2096
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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