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

Formula:C20H25N2F Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(4-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H25N2F
Smiles	Fc1ccc(C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)cc1
InChI	InChI=1S/C20H23FN2/c21-20-10-8-19(9-11-20)17-23-15-13-22(14-16-23)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/p+2
InChIK	RNMWLYVAYJCADO-UHFFFAOYSA-P
TotalMolweight	312.431
Molweight	312.431
MonoisotopicMass	312.200176
CLogP	-0.5784
CLogS	-2.853
H Acceptors	2
H Donors	2
TotalSurfaceArea	283.61
Relative PSA	0.12404
PolarSurfaceArea	8.88
Druglikeness	-3.5083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73913
Fragments	1
Non HAtoms	23
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	8
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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