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

Formula:C13H20N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C13H20N2
Smiles	C(/C=C/c1ccccc1)[NH+]1CC[NH2+]CC1
InChI	InChI=1S/C13H18N2/c1-2-5-13(6-3-1)7-4-10-15-11-8-14-9-12-15/h1-7,14H,8-12H2/p+2
InChIK	WGEIOMTZIIOUMA-UHFFFAOYSA-P
TotalMolweight	204.316
Molweight	204.316
MonoisotopicMass	204.162648
CLogP	-0.5016
CLogS	-1.578
H Acceptors	2
H Donors	2
TotalSurfaceArea	187.14
Relative PSA	0.13535
PolarSurfaceArea	21.05
Druglikeness	-2.1683
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.73333
Fragments	1
Non HAtoms	15
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	6
Sp3Atoms	7
Symmetricatoms	4
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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