(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid

Formula:C17H13O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none (Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid is a drug-like molecule.

MolName	(Z)-4-[3-[(2-fluorophenyl)methyl]phenyl]-4-hydroxy-2-oxobut-3-enoic acid
MolecularFormula	C17H13O4F
Smiles	O/C(/c1cccc(Cc(cccc2)c2F)c1)=C\C(C(O)=O)=O
InChI	InChI=1S/C17H13FO4/c18-14-7-2-1-5-12(14)8-11-4-3-6-13(9-11)15(19)10-16(20)17(21)22/h1-7,9-10,19H,8H2,(H,21,22)
InChIK	BXXLOISPRMUOPQ-UHFFFAOYSA-N
TotalMolweight	300.284
Molweight	300.284
MonoisotopicMass	300.079788
CLogP	2.0869
CLogS	-3.479
H Acceptors	4
H Donors	2
TotalSurfaceArea	226.04
Relative PSA	0.23129
PolarSurfaceArea	74.6
Druglikeness	-8.0083
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions
Shape Index	0.59091
Fragments	1
Non HAtoms	22
NonCHAtoms	5
Electronegative Atoms	5
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
AcidicOxygens	1
StereoCon

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