(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide

Formula:C23H15N2O2BrF2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-3-[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]-2-cyano-N-(4-fluorophenyl)prop-2-enamide
MolecularFormula	C23H15N2O2BrF2
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)cc(Br)c1OCc(cc1)ccc1F
InChI	InChI=1S/C23H15BrF2N2O2/c24-21-12-16(3-10-22(21)30-14-15-1-4-18(25)5-2-15)11-17(13-27)23(29)28-20-8-6-19(26)7-9-20/h1-12H,14H2,(H,28,29)
InChIK	HJJIAFNLTFEQNB-UHFFFAOYSA-N
TotalMolweight	469.284
Molweight	469.284
MonoisotopicMass	468.028495
CLogP	5.2632
CLogS	-6.573
H Acceptors	4
H Donors	1
TotalSurfaceArea	323.5
Relative PSA	0.14856
PolarSurfaceArea	62.12
Druglikeness	-5.1136
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	2
Symmetricatoms	4
Amides	1
StereoCon

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