2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

Formula:C24H17N2O4F Mutagenic:none Tumorigenic:none Reproductive Effective:low 2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid
MolecularFormula	C24H17N2O4F
Smiles	N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c1cccc(OCc(cc2)ccc2F)c1
InChI	InChI=1S/C24H17FN2O4/c25-19-10-8-16(9-11-19)15-31-20-5-3-4-17(13-20)12-18(14-26)23(28)27-22-7-2-1-6-21(22)24(29)30/h1-13H,15H2,(H,27,28)(H,29,30)
InChIK	PESQQDGJZMRNAI-UHFFFAOYSA-N
TotalMolweight	416.407
Molweight	416.407
MonoisotopicMass	416.117236
CLogP	3.9223
CLogS	-5.438
H Acceptors	6
H Donors	2
TotalSurfaceArea	322.62
Relative PSA	0.22999
PolarSurfaceArea	99.42
Druglikeness	-3.3446
Mutagenic	none
Tumorigenic	none
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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1 - 2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-2-cyano-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoyl]amino]benzoic acid

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