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

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

MolName	1-(naphthalen-2-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C24H28N2
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH+](Cc2cc3ccccc3cc2)CC1
InChI	InChI=1S/C24H26N2/c1-2-7-21(8-3-1)9-6-14-25-15-17-26(18-16-25)20-22-12-13-23-10-4-5-11-24(23)19-22/h1-13,19H,14-18,20H2/p+2
InChIK	NJIYUFSFOSQQRR-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	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
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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