(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide

Formula:C20H11N3O5Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-[5-(3,4-dichlorophenyl)furan-2-yl]-N-(2-hydroxy-4-nitrophenyl)prop-2-enamide
MolecularFormula	C20H11N3O5Cl2
Smiles	N#C/C(/C(Nc(ccc([N+]([O-])=O)c1)c1O)=O)=C\c1ccc(-c(cc2)cc(Cl)c2Cl)o1
InChI	InChI=1S/C20H11Cl2N3O5/c21-15-4-1-11(8-16(15)22)19-6-3-14(30-19)7-12(10-23)20(27)24-17-5-2-13(25(28)29)9-18(17)26/h1-9,26H,(H,24,27)
InChIK	GWCGKAUALPNCGQ-UHFFFAOYSA-N
TotalMolweight	444.229
Molweight	444.229
MonoisotopicMass	443.007576
CLogP	3.8719
CLogS	-6.866
H Acceptors	8
H Donors	2
TotalSurfaceArea	318.96
Relative PSA	0.30001
PolarSurfaceArea	132.08
Druglikeness	-5.7117
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Amides	1
AcidicOxygens	1
StereoCon

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