1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium

Formula:C22H28N2O2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C22H28N2O2
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH+](Cc(cc2)cc3c2OCCO3)CC1
InChI	InChI=1S/C22H26N2O2/c1-2-5-19(6-3-1)7-4-10-23-11-13-24(14-12-23)18-20-8-9-21-22(17-20)26-16-15-25-21/h1-9,17H,10-16,18H2/p+2
InChIK	IPFFYZMMSMRLJB-UHFFFAOYSA-P
TotalMolweight	352.476
Molweight	352.476
MonoisotopicMass	352.215078
CLogP	-0.7004
CLogS	-2.721
H Acceptors	4
H Donors	2
TotalSurfaceArea	311.28
Relative PSA	0.17727
PolarSurfaceArea	27.34
Druglikeness	-9.0659
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69231
Fragments	1
Non HAtoms	26
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	12
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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