(E)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one

Formula:C26H23N2O2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[4-(4-chlorophenyl)piperazin-1-yl]-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
MolecularFormula	C26H23N2O2Cl3
Smiles	O=C(/C=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)N(CC1)CCN1c(cc1)ccc1Cl
InChI	InChI=1S/C26H23Cl3N2O2/c27-21-6-8-23(9-7-21)30-13-15-31(16-14-30)26(32)12-3-19-1-10-24(11-2-19)33-18-20-4-5-22(28)17-25(20)29/h1-12,17H,13-16,18H2
InChIK	PGPXPRLWEWDBAU-UHFFFAOYSA-N
TotalMolweight	501.84
Molweight	501.84
MonoisotopicMass	500.082509
CLogP	6.4338
CLogS	-6.592
H Acceptors	4
TotalSurfaceArea	369.19
Relative PSA	0.081638
PolarSurfaceArea	32.78
Druglikeness	5.1596
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.69697
Fragments	1
Non HAtoms	33
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	6
Amides	1
Amines	1
Aromatic Amines	1
StereoCon

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