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

Formula:C24H16N2O4ClF Mutagenic:none Tumorigenic:none Reproductive Effective:none 4-[[2-chloro-4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid is a drug-like molecule.

MolName	4-[[2-chloro-4-[(E)-2-cyano-3-(4-fluoroanilino)-3-oxoprop-1-enyl]phenoxy]methyl]benzoic acid
MolecularFormula	C24H16N2O4ClF
Smiles	N#C/C(/C(Nc(cc1)ccc1F)=O)=C\c(cc1)cc(Cl)c1OCc(cc1)ccc1C(O)=O
InChI	InChI=1S/C24H16ClFN2O4/c25-21-12-16(11-18(13-27)23(29)28-20-8-6-19(26)7-9-20)3-10-22(21)32-14-15-1-4-17(5-2-15)24(30)31/h1-12H,14H2,(H,28,29)(H,30,31)
InChIK	APUOATXSGQQGQF-UHFFFAOYSA-N
TotalMolweight	450.852
Molweight	450.852
MonoisotopicMass	450.078263
CLogP	4.5283
CLogS	-6.174
H Acceptors	6
H Donors	2
TotalSurfaceArea	338.04
Relative PSA	0.2195
PolarSurfaceArea	99.42
Druglikeness	-3.267
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.65625
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
Symmetricatoms	4
Amides	1
AcidicOxygens	1
StereoCon

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