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

Formula:C23H16NO3F Mutagenic:none Tumorigenic:low Reproductive Effective:high 4-[[2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-[(E)-2-cyano-2-(4-fluorophenyl)ethenyl]phenoxy]methyl]benzoic acid
MolecularFormula	C23H16NO3F
Smiles	N#C/C(/c(cc1)ccc1F)=C/c(cccc1)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C23H16FNO3/c24-21-11-9-17(10-12-21)20(14-25)13-19-3-1-2-4-22(19)28-15-16-5-7-18(8-6-16)23(26)27/h1-13H,15H2,(H,26,27)
InChIK	GCGXYHVVMIYIOB-UHFFFAOYSA-N
TotalMolweight	373.382
Molweight	373.382
MonoisotopicMass	373.111422
CLogP	4.2666
CLogS	-5.297
H Acceptors	4
H Donors	1
TotalSurfaceArea	293.41
Relative PSA	0.16939
PolarSurfaceArea	70.32
Druglikeness	-6.31
Mutagenic	none
Tumorigenic	low
Reproductive Effective	high
Irritant	none
Nasty Functions
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	5
Electronegative Atoms	5
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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