2-chloro-5-[5-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid

Formula:C21H12N2O4ClF Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-5-[5-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid is a drug-like molecule.

MolName	2-chloro-5-[5-[(E)-2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
MolecularFormula	C21H12N2O4ClF
Smiles	N#C/C(/C(Nc(cccc1)c1F)=O)=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C21H12ClFN2O4/c22-16-7-5-12(10-15(16)21(27)28)19-8-6-14(29-19)9-13(11-24)20(26)25-18-4-2-1-3-17(18)23/h1-10H,(H,25,26)(H,27,28)
InChIK	NHAZHIJHWZMEML-UHFFFAOYSA-N
TotalMolweight	410.787
Molweight	410.787
MonoisotopicMass	410.046963
CLogP	4.1191
CLogS	-6.293
H Acceptors	6
H Donors	2
TotalSurfaceArea	303.97
Relative PSA	0.25762
PolarSurfaceArea	103.33
Druglikeness	-2.0855
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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