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

Formula:C22H30N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-phenylprop-2-enyl]-4-(3-phenylpropyl)piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(E)-3-phenylprop-2-enyl]-4-(3-phenylpropyl)piperazine-1,4-diium
MolecularFormula	C22H30N2
Smiles	C(Cc1ccccc1)C[NH+]1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C22H28N2/c1-3-9-21(10-4-1)13-7-15-23-17-19-24(20-18-23)16-8-14-22-11-5-2-6-12-22/h1-7,9-13H,8,14-20H2/p+2
InChIK	ADRMEFKTOGZSDK-UHFFFAOYSA-P
TotalMolweight	322.494
Molweight	322.494
MonoisotopicMass	322.240898
CLogP	0.2053
CLogS	-2.921
H Acceptors	2
H Donors	2
TotalSurfaceArea	304.78
Relative PSA	0.11543
PolarSurfaceArea	8.88
Druglikeness	-3.2798
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.75
Fragments	1
Non HAtoms	24
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	10
Symmetricatoms	6
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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