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

Formula:C19H21N3O2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium is a drug-like molecule.

MolName	1-(2-fluorophenyl)-4-[(E)-3-(2-nitrophenyl)prop-2-enyl]piperazin-4-ium
MolecularFormula	C19H21N3O2F
Smiles	[O-][N+](c1c(/C=C/C[NH+](CC2)CCN2c(cccc2)c2F)cccc1)=O
InChI	InChI=1S/C19H20FN3O2/c20-17-8-2-4-10-19(17)22-14-12-21(13-15-22)11-5-7-16-6-1-3-9-18(16)23(24)25/h1-10H,11-15H2/p+1
InChIK	XAHSMVJSIPDKOG-UHFFFAOYSA-O
TotalMolweight	342.393
Molweight	342.393
MonoisotopicMass	342.16178
CLogP	2.0016
CLogS	-3.835
H Acceptors	5
H Donors	1
TotalSurfaceArea	279.48
Relative PSA	0.18449
PolarSurfaceArea	53.5
Druglikeness	-4.6225
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.6
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	8
Symmetricatoms	2
Amines	2
AlkylAmines	1
Aromatic Amines	1
BasicNitrogens	1
AcidicOxygens	1
StereoCon

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