2-[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid

Formula:C18H13N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid is a drug-like molecule.

MolName	2-[4-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]acetic acid
MolecularFormula	C18H13N2O4F
Smiles	N#C/C(/C(Nc(cccc1)c1F)=O)=C\c(cc1)ccc1OCC(O)=O
InChI	InChI=1S/C18H13FN2O4/c19-15-3-1-2-4-16(15)21-18(24)13(10-20)9-12-5-7-14(8-6-12)25-11-17(22)23/h1-9H,11H2,(H,21,24)(H,22,23)
InChIK	ZJEDPPGOXGRKOX-UHFFFAOYSA-N
TotalMolweight	340.309
Molweight	340.309
MonoisotopicMass	340.085936
CLogP	2.1491
CLogS	-3.877
H Acceptors	6
H Donors	2
TotalSurfaceArea	262.86
Relative PSA	0.28228
PolarSurfaceArea	99.42
Druglikeness	-2.9068
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.64
Fragments	1
Non HAtoms	25
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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