N-[(1E)-2-hydroxy-1-(6-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]nitrous amide

Formula:C16H12N6O7 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-[(1E)-2-hydroxy-1-(6-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]nitrous amide is not a drug-like molecule.

MolName	N-[(1E)-2-hydroxy-1-(6-nitro-3-oxo-1,4-dihydroquinoxalin-2-ylidene)-2-(4-nitrophenyl)ethyl]nitrous amide
MolecularFormula	C16H12N6O7
Smiles	[O-][N+](c1ccc(C(/C(/NN=O)=C2\Nc(ccc([N+]([O-])=O)c3)c3NC2=O)O)cc1)=O
InChI	InChI=1S/C16H12N6O7/c23-15(8-1-3-9(4-2-8)21(26)27)13(19-20-25)14-16(24)18-12-7-10(22(28)29)5-6-11(12)17-14/h1-7,15,17,23H,(H,18,24)(H,19,25)/t15-/m1/s1
InChIK	GWWDNFDZQQPVBR-OAHLLOKOSA-N
TotalMolweight	400.306
Molweight	400.306
MonoisotopicMass	400.076749
CLogP	-0.6177
CLogS	-4.182
H Acceptors	13
H Donors	4
TotalSurfaceArea	278.56
Relative PSA	0.5238
PolarSurfaceArea	194.46
Druglikeness	-2.9411
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; nitroso
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	13
Electronegative Atoms	13
StereoCenters	1
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	2
Amides	1
AcidicOxygens	2
StereoCon	racemate

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