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

Formula:C22H16NO2ClF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one is a drug-like molecule.

MolName	(E)-1-[3-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-(4-fluoroanilino)prop-2-en-1-one
MolecularFormula	C22H16NO2ClF2
Smiles	O=C(/C=C/Nc(cc1)ccc1F)c1cccc(OCc(c(F)ccc2)c2Cl)c1
InChI	InChI=1S/C22H16ClF2NO2/c23-20-5-2-6-21(25)19(20)14-28-18-4-1-3-15(13-18)22(27)11-12-26-17-9-7-16(24)8-10-17/h1-13,26H,14H2
InChIK	JUDKTUMFPVILIC-UHFFFAOYSA-N
TotalMolweight	399.823
Molweight	399.823
MonoisotopicMass	399.083762
CLogP	4.6302
CLogS	-6.491
H Acceptors	3
H Donors	1
TotalSurfaceArea	300.37
Relative PSA	0.11486
PolarSurfaceArea	38.33
Druglikeness	-0.93876
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.64286
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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