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

Formula:C22H23N2OCl2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3,4-dichlorophenyl)-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-(3,4-dichlorophenyl)-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]prop-2-en-1-one
MolecularFormula	C22H23N2OCl2
Smiles	O=C(/C=C/c(cc1)cc(Cl)c1Cl)N1CC[NH+](C/C=C/c2ccccc2)CC1
InChI	InChI=1S/C22H22Cl2N2O/c23-20-10-8-19(17-21(20)24)9-11-22(27)26-15-13-25(14-16-26)12-4-7-18-5-2-1-3-6-18/h1-11,17H,12-16H2/p+1
InChIK	RQBVCMRXOPLUHF-UHFFFAOYSA-O
TotalMolweight	402.344
Molweight	402.344
MonoisotopicMass	401.118742
CLogP	3.0541
CLogS	-4.51
H Acceptors	3
H Donors	1
TotalSurfaceArea	324.55
Relative PSA	0.10532
PolarSurfaceArea	24.75
Druglikeness	1.7574
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.7037
Fragments	1
Non HAtoms	27
NonCHAtoms	5
Electronegative Atoms	5
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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