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

Formula:C26H30N2 Mutagenic:none Tumorigenic:none Reproductive Effective:none 1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium is a drug-like molecule.

MolName	1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine-1,4-diium
MolecularFormula	C26H30N2
Smiles	C(/C=C/c1ccccc1)[NH+](CC1)CC[NH+]1C(c1ccccc1)c1ccccc1
InChI	InChI=1S/C26H28N2/c1-4-11-23(12-5-1)13-10-18-27-19-21-28(22-20-27)26(24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-17,26H,18-22H2/p+2
InChIK	DERZBLKQOCDDDZ-UHFFFAOYSA-P
TotalMolweight	370.538
Molweight	370.538
MonoisotopicMass	370.240898
CLogP	1.0366
CLogS	-3.799
H Acceptors	2
H Donors	2
TotalSurfaceArea	335.76
Relative PSA	0.10478
PolarSurfaceArea	8.88
Druglikeness	-1.7313
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.57143
Fragments	1
Non HAtoms	28
NonCHAtoms	2
Electronegative Atoms	2
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	8
Symmetricatoms	12
Amines	2
AlkylAmines	2
BasicNitrogens	2
StereoCon

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