1-benzyl-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C20H25N2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzyl-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-benzyl-4-[(Z)-2-chloro-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H25N2Cl
Smiles	Cl/C(/C[NH+]1CC[NH+](Cc2ccccc2)CC1)=C\c1ccccc1
InChI	InChI=1S/C20H23ClN2/c21-20(15-18-7-3-1-4-8-18)17-23-13-11-22(12-14-23)16-19-9-5-2-6-10-19/h1-10,15H,11-14,16-17H2/p+2
InChIK	HOUDRLFYDSKMCK-UHFFFAOYSA-P
TotalMolweight	328.885
Molweight	328.885
MonoisotopicMass	328.170625
CLogP	-0.2176
CLogS	-3.23
H Acceptors	2
H Donors	2
TotalSurfaceArea	290.89
Relative PSA	0.12094
PolarSurfaceArea	8.88
Druglikeness	-1.3241
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	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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