N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]-4-nitrobenzamide

Formula:C15H16N3O3Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(Z)-(2-chlorocyclohepten-1-yl)methylideneamino]-4-nitrobenzamide
MolecularFormula	C15H16N3O3Cl
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C\C(CCCCC1)=C1Cl)=O)=O
InChI	InChI=1S/C15H16ClN3O3/c16-14-5-3-1-2-4-12(14)10-17-18-15(20)11-6-8-13(9-7-11)19(21)22/h6-10H,1-5H2,(H,18,20)
InChIK	BQOKQFZEVLZYPU-UHFFFAOYSA-N
TotalMolweight	321.763
Molweight	321.763
MonoisotopicMass	321.088019
CLogP	2.5262
CLogS	-4.956
H Acceptors	6
H Donors	1
TotalSurfaceArea	244.54
Relative PSA	0.27165
PolarSurfaceArea	87.28
Druglikeness	-5.6171
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	22
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	6
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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