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

Formula:C20H11N4O6Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none (E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide is a drug-like molecule.

MolName	(E)-3-[5-(2-chloro-4-nitrophenyl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide
MolecularFormula	C20H11N4O6Cl
Smiles	N#C/C(/C(Nc(cc1)ccc1[N+]([O-])=O)=O)=C\c1ccc(-c(ccc([N+]([O-])=O)c2)c2Cl)o1
InChI	InChI=1S/C20H11ClN4O6/c21-18-10-15(25(29)30)5-7-17(18)19-8-6-16(31-19)9-12(11-22)20(26)23-13-1-3-14(4-2-13)24(27)28/h1-10H,(H,23,26)
InChIK	AYCSWVCTYSRLBN-UHFFFAOYSA-N
TotalMolweight	438.782
Molweight	438.782
MonoisotopicMass	438.036713
CLogP	2.69
CLogS	-6.886
H Acceptors	10
H Donors	1
TotalSurfaceArea	320.86
Relative PSA	0.35221
PolarSurfaceArea	157.67
Druglikeness	-5.7378
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	6
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon

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