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

Formula:C18H14N3O3ClS Mutagenic:none Tumorigenic:high Reproductive Effective:none 3-[[4-chloro-2-oxo-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-2-oxo-5-[(Z)-(phenylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C18H14N3O3ClS
Smiles	OC(c1cccc(CN(C(Cl)=C(/C=N\Nc2ccccc2)S2)C2=O)c1)=O
InChI	InChI=1S/C18H14ClN3O3S/c19-16-15(10-20-21-14-7-2-1-3-8-14)26-18(25)22(16)11-12-5-4-6-13(9-12)17(23)24/h1-10,21H,11H2,(H,23,24)
InChIK	FTRYOLWOFSWBTH-UHFFFAOYSA-N
TotalMolweight	387.846
Molweight	387.846
MonoisotopicMass	387.044439
CLogP	4.6963
CLogS	-4.769
H Acceptors	6
H Donors	2
TotalSurfaceArea	277.48
Relative PSA	0.29981
PolarSurfaceArea	107.3
Druglikeness	5.6267
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	polar activated DB; imine/hydrazone of aldehyde
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	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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