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

Formula:C20H23N2O2 Mutagenic:high Tumorigenic:none Reproductive Effective:none (E)-3-(furan-2-yl)-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-(furan-2-yl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one
MolecularFormula	C20H23N2O2
Smiles	O=C(/C=C/c1ccco1)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C20H22N2O2/c23-20(11-10-19-9-5-17-24-19)22-15-13-21(14-16-22)12-4-8-18-6-2-1-3-7-18/h1-11,17H,12-16H2/p+1
InChIK	CWVWMDVAAGIKEJ-UHFFFAOYSA-O
TotalMolweight	323.415
Molweight	323.415
MonoisotopicMass	323.175953
CLogP	1.0308
CLogS	-2.72
H Acceptors	4
H Donors	1
TotalSurfaceArea	283.4
Relative PSA	0.1704
PolarSurfaceArea	37.89
Druglikeness	1.699
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.70833
Fragments	1
Non HAtoms	24
NonCHAtoms	4
Electronegative Atoms	4
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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