(E)-N-(2-chlorophenyl)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide

Formula:C20H11N2O2Cl3 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-N-(2-chlorophenyl)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide is not a drug-like molecule.

MolName	(E)-N-(2-chlorophenyl)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]prop-2-enamide
MolecularFormula	C20H11N2O2Cl3
Smiles	N#C/C(/C(Nc(cccc1)c1Cl)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C20H11Cl3N2O2/c21-15-5-1-2-7-17(15)25-20(26)12(11-24)10-13-8-9-18(27-13)14-4-3-6-16(22)19(14)23/h1-10H,(H,25,26)
InChIK	RGRCOADXUVVHAL-UHFFFAOYSA-N
TotalMolweight	417.678
Molweight	417.678
MonoisotopicMass	415.988609
CLogP	5.7452
CLogS	-7.438
H Acceptors	4
H Donors	1
TotalSurfaceArea	304.36
Relative PSA	0.17141
PolarSurfaceArea	66.03
Druglikeness	-0.70327
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	twice activated DB
Shape Index	0.55556
Fragments	1
Non HAtoms	27
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Amides	1
StereoCon

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