N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide

Formula:C20H21N5O3Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide is a drug-like molecule.

MolName	N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]acetamide
MolecularFormula	C20H21N5O3Cl2
Smiles	[O-][N+](c(cc(/C=N\NC(CN1CCN(Cc(cccc2)c2Cl)CC1)=O)cc1)c1Cl)=O
InChI	InChI=1S/C20H21Cl2N5O3/c21-17-4-2-1-3-16(17)13-25-7-9-26(10-8-25)14-20(28)24-23-12-15-5-6-18(22)19(11-15)27(29)30/h1-6,11-12H,7-10,13-14H2,(H,24,28)
InChIK	NOIJOTSFDNJCKP-UHFFFAOYSA-N
TotalMolweight	450.325
Molweight	450.325
MonoisotopicMass	449.102144
CLogP	0.9852
CLogS	-4.498
H Acceptors	8
H Donors	1
TotalSurfaceArea	331.16
Relative PSA	0.22204
PolarSurfaceArea	93.76
Druglikeness	4.1423
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63333
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
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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