1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea

Formula:C8H7N7O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea is not a drug-like molecule.

MolName	1-(4-amino-1,2,5-oxadiazol-3-yl)-3-[(E)-(5-nitrofuran-2-yl)methylideneamino]urea
MolecularFormula	C8H7N7O5
Smiles	Nc1nonc1NC(N/N=C/c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C8H7N7O5/c9-6-7(14-20-13-6)11-8(16)12-10-3-4-1-2-5(19-4)15(17)18/h1-3H,(H2,9,13)(H2,11,12,14,16)
InChIK	HEWWUYIXFPACSF-UHFFFAOYSA-N
TotalMolweight	281.188
Molweight	281.188
MonoisotopicMass	281.050868
CLogP	0.3508
CLogS	-4.273
H Acceptors	12
H Donors	3
TotalSurfaceArea	207.54
Relative PSA	0.69057
PolarSurfaceArea	177.39
Druglikeness	3.4836
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; imine/hydrazone of aldehyde
Shape Index	0.65
Fragments	1
Non HAtoms	20
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Amides	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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