4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid

Formula:C23H15NO3BrF Mutagenic:none Tumorigenic:low Reproductive Effective:high 4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-bromo-4-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid
MolecularFormula	C23H15NO3BrF
Smiles	N#C/C(/c(cc1)ccc1F)=C/c(cc1)cc(Br)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C23H15BrFNO3/c24-21-12-16(11-19(13-26)17-6-8-20(25)9-7-17)3-10-22(21)29-14-15-1-4-18(5-2-15)23(27)28/h1-12H,14H2,(H,27,28)
InChIK	YYKBAKDVUXEFJL-UHFFFAOYSA-N
TotalMolweight	452.278
Molweight	452.278
MonoisotopicMass	451.021933
CLogP	4.9918
CLogS	-6.131
H Acceptors	4
H Donors	1
TotalSurfaceArea	312.04
Relative PSA	0.15927
PolarSurfaceArea	70.32
Druglikeness	-8.1
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.65517
Fragments	1
Non HAtoms	29
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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