1-(4-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium

Formula:C19H21N3O2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(4-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium is a drug-like molecule.

MolName	1-(4-chlorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium
MolecularFormula	C19H21N3O2Cl
Smiles	[O-][N+](c1c(/C=C/C[NH+](CC2)CCN2c(cc2)ccc2Cl)cccc1)=O
InChI	InChI=1S/C19H20ClN3O2/c20-17-7-9-18(10-8-17)22-14-12-21(13-15-22)11-3-5-16-4-1-2-6-19(16)23(24)25/h1-10H,11-15H2/p+1
InChIK	JQFICDCEDFRQTJ-UHFFFAOYSA-O
TotalMolweight	358.848
Molweight	358.848
MonoisotopicMass	358.132229
CLogP	2.5068
CLogS	-4.257
H Acceptors	5
H Donors	1
TotalSurfaceArea	288.55
Relative PSA	0.17869
PolarSurfaceArea	53.5
Druglikeness	-3.2307
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	7
Symmetricatoms	4
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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