2-[[(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid

Formula:C21H13N2O4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[[(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid is a drug-like molecule.

MolName	2-[[(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid
MolecularFormula	C21H13N2O4Cl
Smiles	N#C/C(/C(Nc(cccc1)c1C(O)=O)=O)=C\c1ccc(-c2cccc(Cl)c2)o1
InChI	InChI=1S/C21H13ClN2O4/c22-15-5-3-4-13(10-15)19-9-8-16(28-19)11-14(12-23)20(25)24-18-7-2-1-6-17(18)21(26)27/h1-11H,(H,24,25)(H,26,27)
InChIK	UQCSKPRGKRCDDH-UHFFFAOYSA-N
TotalMolweight	392.797
Molweight	392.797
MonoisotopicMass	392.056385
CLogP	4.0183
CLogS	-5.979
H Acceptors	6
H Donors	2
TotalSurfaceArea	297.62
Relative PSA	0.26312
PolarSurfaceArea	103.33
Druglikeness	-0.74551
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.53571
Fragments	1
Non HAtoms	28
NonCHAtoms	7
Electronegative Atoms	7
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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1 - 2-[[(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid | 2 - 2-[[(E)-3-[5-(3-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoyl]amino]benzoic acid

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