2-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid

Formula:C21H23N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.

MolName	2-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetyl]hydrazinylidene]methyl]benzoic acid
MolecularFormula	C21H23N4O3Cl
Smiles	OC(c1c(/C=N\NC(CN2CCN(Cc(cccc3)c3Cl)CC2)=O)cccc1)=O
InChI	InChI=1S/C21H23ClN4O3/c22-19-8-4-2-6-17(19)14-25-9-11-26(12-10-25)15-20(27)24-23-13-16-5-1-3-7-18(16)21(28)29/h1-8,13H,9-12,14-15H2,(H,24,27)(H,28,29)
InChIK	CDFQMCFUCLJSDU-UHFFFAOYSA-N
TotalMolweight	414.892
Molweight	414.892
MonoisotopicMass	414.145868
CLogP	0.7859
CLogS	-3.315
H Acceptors	7
H Donors	2
TotalSurfaceArea	316.17
Relative PSA	0.21903
PolarSurfaceArea	85.24
Druglikeness	9.005
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	2
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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