4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate

Formula:C17H13N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C17H13N3O4Cl
Smiles	[O-]C(c1ccc(/C=N\NC(C(NCc(cc2)ccc2Cl)=O)=O)cc1)=O
InChI	InChI=1S/C17H14ClN3O4/c18-14-7-3-11(4-8-14)9-19-15(22)16(23)21-20-10-12-1-5-13(6-2-12)17(24)25/h1-8,10H,9H2,(H,19,22)(H,21,23)(H,24,25)/p-1
InChIK	ABOSVFCBRNEBQM-UHFFFAOYSA-M
TotalMolweight	358.76
Molweight	358.76
MonoisotopicMass	358.059459
CLogP	-0.1316
CLogS	-4.09
H Acceptors	7
H Donors	2
TotalSurfaceArea	270.66
Relative PSA	0.3245
PolarSurfaceArea	110.69
Druglikeness	4.0893
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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