(E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enamide

Formula:C8H5N3O4 Mutagenic:high Tumorigenic:high Reproductive Effective:low (E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enamide is a drug-like molecule.

MolName	(E)-2-cyano-3-(5-nitrofuran-2-yl)prop-2-enamide
MolecularFormula	C8H5N3O4
Smiles	NC(/C(/C#N)=C/c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C8H5N3O4/c9-4-5(8(10)12)3-6-1-2-7(15-6)11(13)14/h1-3H,(H2,10,12)
InChIK	AWQODDAZZQKPED-UHFFFAOYSA-N
TotalMolweight	207.145
Molweight	207.145
MonoisotopicMass	207.028007
CLogP	-0.4534
CLogS	-3.014
H Acceptors	7
H Donors	1
TotalSurfaceArea	159.31
Relative PSA	0.54234
PolarSurfaceArea	125.84
Druglikeness	-6.1316
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro
Shape Index	0.6
Fragments	1
Non HAtoms	15
NonCHAtoms	7
Electronegative Atoms	7
Rotatable Bond	3
Rings Closures	1
Small Rings	1
Aromatic Rings	1
Aromatic Atoms	5
Sp3Atoms	1
Amides	1
AcidicOxygens	1
StereoCon

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