1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C21H26N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-(1,3-benzodioxol-5-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C21H26N2O2
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH+](Cc(cc2)cc3c2OCO3)CC1
InChI	InChI=1S/C21H24N2O2/c1-2-5-18(6-3-1)7-4-10-22-11-13-23(14-12-22)16-19-8-9-20-21(15-19)25-17-24-20/h1-9,15H,10-14,16-17H2/p+2
InChIK	RLPQFLZZBZUEOL-UHFFFAOYSA-P
TotalMolweight	338.449
Molweight	338.449
MonoisotopicMass	338.199428
CLogP	-0.5678
CLogS	-3.25
H Acceptors	4
H Donors	2
TotalSurfaceArea	297.52
Relative PSA	0.18547
PolarSurfaceArea	27.34
Druglikeness	-2.0055
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.68
Fragments	1
Non HAtoms	25
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	11
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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