1-[(E)-3-phenylprop-2-enyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1,4-diium

Formula:C23H30N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-phenylprop-2-enyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(E)-3-phenylprop-2-enyl]-4-[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]piperazine-1,4-diium
MolecularFormula	C23H30N2
Smiles	C(/C=C/c1ccccc1)[NH+](CC1)CC[NH+]1[C@@H](CC1)Cc2c1cccc2
InChI	InChI=1S/C23H28N2/c1-2-7-20(8-3-1)9-6-14-24-15-17-25(18-16-24)23-13-12-21-10-4-5-11-22(21)19-23/h1-11,23H,12-19H2/p+2/t23-/m0/s1
InChIK	RAIMARIHCIACFL-QHCPKHFHSA-P
TotalMolweight	334.505
Molweight	334.505
MonoisotopicMass	334.240898
CLogP	0.2228
CLogS	-3.348
H Acceptors	2
H Donors	2
TotalSurfaceArea	303.78
Relative PSA	0.11581
PolarSurfaceArea	8.88
Druglikeness	-2.4285
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	2
Electronegative Atoms	2
StereoCenters	1
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon	this enantiomer

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