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

Formula:C21H25N2F3 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(E)-3-phenylprop-2-enyl]-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1,4-diium
MolecularFormula	C21H25N2F3
Smiles	FC(c1ccc(C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)cc1)(F)F
InChI	InChI=1S/C21H23F3N2/c22-21(23,24)20-10-8-19(9-11-20)17-26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11H,12-17H2/p+2
InChIK	NKDSUWQPWJBWQU-UHFFFAOYSA-P
TotalMolweight	362.438
Molweight	362.438
MonoisotopicMass	362.196982
CLogP	0.1691
CLogS	-3.317
H Acceptors	2
H Donors	2
TotalSurfaceArea	306.72
Relative PSA	0.1147
PolarSurfaceArea	8.88
Druglikeness	-9.3583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	9
Symmetricatoms	8
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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