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

Formula:C22H16NO2Cl3 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(4-chloroanilino)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-3-(4-chloroanilino)-1-[3-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-en-1-one
MolecularFormula	C22H16NO2Cl3
Smiles	O=C(/C=C/Nc(cc1)ccc1Cl)c1cccc(OCc(ccc(Cl)c2)c2Cl)c1
InChI	InChI=1S/C22H16Cl3NO2/c23-17-6-8-19(9-7-17)26-11-10-22(27)15-2-1-3-20(12-15)28-14-16-4-5-18(24)13-21(16)25/h1-13,26H,14H2
InChIK	QGNAOXHJIRRLGN-UHFFFAOYSA-N
TotalMolweight	432.733
Molweight	432.733
MonoisotopicMass	431.02466
CLogP	5.6406
CLogS	-7.335
H Acceptors	3
H Donors	1
TotalSurfaceArea	318.51
Relative PSA	0.10832
PolarSurfaceArea	38.33
Druglikeness	0.40124
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.67857
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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