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

Formula:C22H24N2OCl Mutagenic:none Tumorigenic:high Reproductive Effective:none (E)-3-(2-chlorophenyl)-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-(2-chlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one
MolecularFormula	C22H24N2OCl
Smiles	O=C(/C=C/c(cccc1)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C22H23ClN2O/c23-21-11-5-4-10-20(21)12-13-22(26)25-17-15-24(16-18-25)14-6-9-19-7-2-1-3-8-19/h1-13H,14-18H2/p+1
InChIK	HIXMNYNDZRVKFK-UHFFFAOYSA-O
TotalMolweight	367.899
Molweight	367.899
MonoisotopicMass	367.157715
CLogP	2.4481
CLogS	-3.774
H Acceptors	3
H Donors	1
TotalSurfaceArea	309.13
Relative PSA	0.11057
PolarSurfaceArea	24.75
Druglikeness	1.7574
Mutagenic	none
Tumorigenic	high
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	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	6
Symmetricatoms	4
Amides	1
Amines	1
AlkylAmines	1
BasicNitrogens	1
StereoCon

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