2-chloro-4-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate

Formula:C21H11N2O4Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-chloro-4-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate is a drug-like molecule.

MolName	2-chloro-4-[5-[(E)-3-(4-chloroanilino)-2-cyano-3-oxoprop-1-enyl]furan-2-yl]benzoate
MolecularFormula	C21H11N2O4Cl2
Smiles	N#C/C(/C(Nc(cc1)ccc1Cl)=O)=C\c1ccc(-c(cc2)cc(Cl)c2C([O-])=O)o1
InChI	InChI=1S/C21H12Cl2N2O4/c22-14-2-4-15(5-3-14)25-20(26)13(11-24)9-16-6-8-19(29-16)12-1-7-17(21(27)28)18(23)10-12/h1-10H,(H,25,26)(H,27,28)/p-1
InChIK	MEUZWTVOAGAILJ-UHFFFAOYSA-M
TotalMolweight	426.234
Molweight	426.234
MonoisotopicMass	425.009587
CLogP	2.5483
CLogS	-6.715
H Acceptors	6
H Donors	1
TotalSurfaceArea	314.22
Relative PSA	0.25298
PolarSurfaceArea	106.16
Druglikeness	-0.56833
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.62069
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
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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