1-[(2,5-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C20H24N2F2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2,5-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(2,5-difluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H24N2F2
Smiles	Fc(cc1)cc(C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)c1F
InChI	InChI=1S/C20H22F2N2/c21-19-8-9-20(22)18(15-19)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+2
InChIK	RNGHKJNQYCKHGN-UHFFFAOYSA-P
TotalMolweight	330.421
Molweight	330.421
MonoisotopicMass	330.190754
CLogP	-0.4776
CLogS	-3.167
H Acceptors	2
H Donors	2
TotalSurfaceArea	289.96
Relative PSA	0.12133
PolarSurfaceArea	8.88
Druglikeness	-3.5083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.66667
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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