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

Formula:C20H24N2Cl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(3,4-dichlorophenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C20H24N2Cl2
Smiles	Clc(ccc(C[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1)c1)c1Cl
InChI	InChI=1S/C20H22Cl2N2/c21-19-9-8-18(15-20(19)22)16-24-13-11-23(12-14-24)10-4-7-17-5-2-1-3-6-17/h1-9,15H,10-14,16H2/p+2
InChIK	DJYNFKKXAPSIKR-UHFFFAOYSA-P
TotalMolweight	363.331
Molweight	363.331
MonoisotopicMass	362.131652
CLogP	0.5328
CLogS	-4.011
H Acceptors	2
H Donors	2
TotalSurfaceArea	308.1
Relative PSA	0.11418
PolarSurfaceArea	8.88
Druglikeness	-1.9823
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
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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