5-[5-[(E)-3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoic acid

Formula:C22H13N2O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 5-[5-[(E)-3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoic acid is a drug-like molecule.

MolName	5-[5-[(E)-3-(3-carboxyanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]-2-chlorobenzoic acid
MolecularFormula	C22H13N2O6Cl
Smiles	N#C/C(/C(Nc1cc(C(O)=O)ccc1)=O)=C\c1ccc(-c(cc2)cc(C(O)=O)c2Cl)o1
InChI	InChI=1S/C22H13ClN2O6/c23-18-6-4-12(10-17(18)22(29)30)19-7-5-16(31-19)9-14(11-24)20(26)25-15-3-1-2-13(8-15)21(27)28/h1-10H,(H,25,26)(H,27,28)(H,29,30)
InChIK	VXOBYKMGJRGTCJ-UHFFFAOYSA-N
TotalMolweight	436.806
Molweight	436.806
MonoisotopicMass	436.046215
CLogP	3.5034
CLogS	-5.992
H Acceptors	8
H Donors	3
TotalSurfaceArea	321.72
Relative PSA	0.32466
PolarSurfaceArea	140.63
Druglikeness	-0.74551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	2
StereoCon

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