(Z,E)-3-(2-nitrophenyl)-N-piperidin-1-ylprop-2-en-1-imine

Formula:C14H17N3O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z,E)-3-(2-nitrophenyl)-N-piperidin-1-ylprop-2-en-1-imine is a drug-like molecule.

MolName	(Z,E)-3-(2-nitrophenyl)-N-piperidin-1-ylprop-2-en-1-imine
MolecularFormula	C14H17N3O2
Smiles	[O-][N+](c1c(/C=C/C=N\N2CCCCC2)cccc1)=O
InChI	InChI=1S/C14H17N3O2/c18-17(19)14-9-3-2-7-13(14)8-6-10-15-16-11-4-1-5-12-16/h2-3,6-10H,1,4-5,11-12H2
InChIK	NPMNOWPIZKMJTQ-UHFFFAOYSA-N
TotalMolweight	259.308
Molweight	259.308
MonoisotopicMass	259.132077
CLogP	1.7522
CLogS	-3.472
H Acceptors	5
TotalSurfaceArea	213.79
Relative PSA	0.21273
PolarSurfaceArea	61.42
Druglikeness	-3.2035
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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