4-[(Z)-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoic acid

Formula:C21H20N3O4Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	4-[(Z)-[[1-(4-chlorobenzoyl)piperidine-4-carbonyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C21H20N3O4Cl
Smiles	OC(c1ccc(/C=N\NC(C(CC2)CCN2C(c(cc2)ccc2Cl)=O)=O)cc1)=O
InChI	InChI=1S/C21H20ClN3O4/c22-18-7-5-16(6-8-18)20(27)25-11-9-15(10-12-25)19(26)24-23-13-14-1-3-17(4-2-14)21(28)29/h1-8,13,15H,9-12H2,(H,24,26)(H,28,29)
InChIK	BRXHDYPORNVRAK-UHFFFAOYSA-N
TotalMolweight	413.86
Molweight	413.86
MonoisotopicMass	413.114234
CLogP	3.6389
CLogS	-4.691
H Acceptors	7
H Donors	2
TotalSurfaceArea	308.6
Relative PSA	0.25515
PolarSurfaceArea	99.07
Druglikeness	7.4387
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68966
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon

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