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

Formula:C20H25N2Br Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(3-bromophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(3-bromophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H25N2Br
Smiles	Brc1cc(C[NH+]2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1
InChI	InChI=1S/C20H23BrN2/c21-20-10-4-8-19(16-20)17-23-14-12-22(13-15-23)11-5-9-18-6-2-1-3-7-18/h1-10,16H,11-15,17H2/p+2
InChIK	WZXRXSLJOICQCD-UHFFFAOYSA-P
TotalMolweight	373.336
Molweight	373.336
MonoisotopicMass	372.120109
CLogP	0.046
CLogS	-3.373
H Acceptors	2
H Donors	2
TotalSurfaceArea	295.89
Relative PSA	0.1189
PolarSurfaceArea	8.88
Druglikeness	-3.9583
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69565
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	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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