(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dichloroanilino)prop-2-en-1-one

Formula:C22H15NO2Cl3F Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dichloroanilino)prop-2-en-1-one is not a drug-like molecule.

MolName	(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(3,4-dichloroanilino)prop-2-en-1-one
MolecularFormula	C22H15NO2Cl3F
Smiles	O=C(/C=C/Nc(cc1)cc(Cl)c1Cl)c1cc(OCc(c(F)ccc2)c2Cl)ccc1
InChI	InChI=1S/C22H15Cl3FNO2/c23-18-5-2-6-21(26)17(18)13-29-16-4-1-3-14(11-16)22(28)9-10-27-15-7-8-19(24)20(25)12-15/h1-12,27H,13H2
InChIK	ZURNCIDQBGJYTR-UHFFFAOYSA-N
TotalMolweight	450.723
Molweight	450.723
MonoisotopicMass	449.015238
CLogP	5.7414
CLogS	-7.649
H Acceptors	3
H Donors	1
TotalSurfaceArea	324.86
Relative PSA	0.1062
PolarSurfaceArea	38.33
Druglikeness	-0.93876
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.62069
Fragments	1
Non HAtoms	29
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
StereoCon

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