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

Formula:C24H28N2 Mutagenic:none Tumorigenic:high Reproductive Effective:none 1-(naphthalen-1-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-(naphthalen-1-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C24H28N2
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH+](Cc2cccc3ccccc23)CC1
InChI	InChI=1S/C24H26N2/c1-2-8-21(9-3-1)10-7-15-25-16-18-26(19-17-25)20-23-13-6-12-22-11-4-5-14-24(22)23/h1-14H,15-20H2/p+2
InChIK	KBHNWYZDNRJVEK-UHFFFAOYSA-P
TotalMolweight	344.5
Molweight	344.5
MonoisotopicMass	344.225248
CLogP	0.5152
CLogS	-4.145
H Acceptors	2
H Donors	2
TotalSurfaceArea	311.86
Relative PSA	0.11281
PolarSurfaceArea	8.88
Druglikeness	-2.1683
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.65385
Fragments	1
Non HAtoms	26
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	8
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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