1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium

Formula:C14H19N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium is a drug-like molecule.

MolName	1-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperidin-1-ium
MolecularFormula	C14H19N2O2
Smiles	[O-][N+](c1c(/C=C/C[NH+]2CCCCC2)cccc1)=O
InChI	InChI=1S/C14H18N2O2/c17-16(18)14-9-3-2-7-13(14)8-6-12-15-10-4-1-5-11-15/h2-3,6-9H,1,4-5,10-12H2/p+1
InChIK	FDNXSQGWMSLYCN-UHFFFAOYSA-O
TotalMolweight	247.317
Molweight	247.317
MonoisotopicMass	247.144653
CLogP	1.4602
CLogS	-3.063
H Acceptors	4
H Donors	1
TotalSurfaceArea	216.83
Relative PSA	0.22142
PolarSurfaceArea	50.26
Druglikeness	-9.9375
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61111
Fragments	1
Non HAtoms	18
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	8
Symmetricatoms	2
Amines	1
AlkylAmines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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