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

Formula:C18H13N4O4ClS Mutagenic:none Tumorigenic:high Reproductive Effective:high 3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid is a drug-like molecule.

MolName	3-[[4-chloro-2-oxo-5-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]-1,3-thiazol-3-yl]methyl]benzoic acid
MolecularFormula	C18H13N4O4ClS
Smiles	OC(c1cccc(CN(C(Cl)=C(/C=N\NC(c2ccncc2)=O)S2)C2=O)c1)=O
InChI	InChI=1S/C18H13ClN4O4S/c19-15-14(9-21-22-16(24)12-4-6-20-7-5-12)28-18(27)23(15)10-11-2-1-3-13(8-11)17(25)26/h1-9H,10H2,(H,22,24)(H,25,26)
InChIK	DWTWJHITMQZRLY-UHFFFAOYSA-N
TotalMolweight	416.844
Molweight	416.844
MonoisotopicMass	416.034603
CLogP	2.0561
CLogS	-4.546
H Acceptors	8
H Donors	2
TotalSurfaceArea	293.99
Relative PSA	0.36464
PolarSurfaceArea	137.26
Druglikeness	7.2604
Mutagenic	none
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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