(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one

Formula:C22H25N2O Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one is a drug-like molecule.

MolName	(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one
MolecularFormula	C22H25N2O
Smiles	O=C(/C=C/c1ccccc1)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C22H24N2O/c25-22(14-13-21-10-5-2-6-11-21)24-18-16-23(17-19-24)15-7-12-20-8-3-1-4-9-20/h1-14H,15-19H2/p+1
InChIK	FSYSSVWBDAYUEO-UHFFFAOYSA-O
TotalMolweight	333.454
Molweight	333.454
MonoisotopicMass	333.196688
CLogP	1.8421
CLogS	-3.038
H Acceptors	3
H Donors	1
TotalSurfaceArea	293.71
Relative PSA	0.11637
PolarSurfaceArea	24.75
Druglikeness	1.7079
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.72
Fragments	1
Non HAtoms	25
NonCHAtoms	3
Electronegative Atoms	3
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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