1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C20H24N2ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(2-chloro-6-fluorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H24N2ClF
Smiles	Fc1cccc(Cl)c1C[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H22ClFN2/c21-19-9-4-10-20(22)18(19)16-24-14-12-23(13-15-24)11-5-8-17-6-2-1-3-7-17/h1-10H,11-16H2/p+2
InChIK	JJCWWRQWYGCWAZ-UHFFFAOYSA-P
TotalMolweight	346.876
Molweight	346.876
MonoisotopicMass	346.161203
CLogP	0.0276
CLogS	-3.589
H Acceptors	2
H Donors	2
TotalSurfaceArea	299.03
Relative PSA	0.11765
PolarSurfaceArea	8.88
Druglikeness	-3.3223
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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