4-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]hydrazinylidene]methyl]benzoate

Formula:C21H24N4O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.

MolName	4-[(Z)-[[2-[4-[(2-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]acetyl]hydrazinylidene]methyl]benzoate
MolecularFormula	C21H24N4O3Cl
Smiles	[O-]C(c1ccc(/C=N\NC(C[NH+]2CC[NH+](Cc(cccc3)c3Cl)CC2)=O)cc1)=O
InChI	InChI=1S/C21H23ClN4O3/c22-19-4-2-1-3-18(19)14-25-9-11-26(12-10-25)15-20(27)24-23-13-16-5-7-17(8-6-16)21(28)29/h1-8,13H,9-12,14-15H2,(H,24,27)(H,28,29)/p+1
InChIK	FDKLRCPXVLSRJE-UHFFFAOYSA-O
TotalMolweight	415.9
Molweight	415.9
MonoisotopicMass	415.153693
CLogP	-1.0269
CLogS	-3.315
H Acceptors	7
H Donors	3
TotalSurfaceArea	345.43
Relative PSA	0.28518
PolarSurfaceArea	90.47
Druglikeness	4.1219
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	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
AcidicOxygens	1
StereoCon

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