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

Formula:C19H14N3O4ClS Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-[[5-[(Z)-(benzoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[5-[(Z)-(benzoylhydrazinylidene)methyl]-4-chloro-2-oxo-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C19H14N3O4ClS
Smiles	OC(c1cccc(CN(C(Cl)=C(/C=N\NC(c2ccccc2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C19H14ClN3O4S/c20-16-15(10-21-22-17(24)13-6-2-1-3-7-13)28-19(27)23(16)11-12-5-4-8-14(9-12)18(25)26/h1-10H,11H2,(H,22,24)(H,25,26)
InChIK	AOFOECMGXMCBNK-UHFFFAOYSA-N
TotalMolweight	415.856
Molweight	415.856
MonoisotopicMass	415.039354
CLogP	3.057
CLogS	-5.341
H Acceptors	7
H Donors	2
TotalSurfaceArea	295.23
Relative PSA	0.32595
PolarSurfaceArea	124.37
Druglikeness	7.2604
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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