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

Formula:C22H16N2O2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide is not a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-(2-phenylethyl)prop-2-enamide
MolecularFormula	C22H16N2O2Cl2
Smiles	N#C/C(/C(NCCc1ccccc1)=O)=C\c1ccc(-c2cccc(Cl)c2Cl)o1
InChI	InChI=1S/C22H16Cl2N2O2/c23-19-8-4-7-18(21(19)24)20-10-9-17(28-20)13-16(14-25)22(27)26-12-11-15-5-2-1-3-6-15/h1-10,13H,11-12H2,(H,26,27)
InChIK	RLDXNLAFHQBQPZ-UHFFFAOYSA-N
TotalMolweight	411.287
Molweight	411.287
MonoisotopicMass	410.058882
CLogP	5.2787
CLogS	-6.63
H Acceptors	4
H Donors	1
TotalSurfaceArea	316.46
Relative PSA	0.16485
PolarSurfaceArea	66.03
Druglikeness	-0.16476
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB
Shape Index	0.60714
Fragments	1
Non HAtoms	28
NonCHAtoms	6
Electronegative Atoms	6
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
StereoCon

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