4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide

Formula:C8H6N6O5 Mutagenic:high Tumorigenic:high Reproductive Effective:none 4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide is not a drug-like molecule.

MolName	4-amino-N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-1,2,5-oxadiazole-3-carboxamide
MolecularFormula	C8H6N6O5
Smiles	Nc1nonc1C(N/N=C\c1ccc([N+]([O-])=O)o1)=O
InChI	InChI=1S/C8H6N6O5/c9-7-6(12-19-13-7)8(15)11-10-3-4-1-2-5(18-4)14(16)17/h1-3H,(H2,9,13)(H,11,15)
InChIK	BZEPJPZUELCMEC-UHFFFAOYSA-N
TotalMolweight	266.173
Molweight	266.173
MonoisotopicMass	266.039969
CLogP	0.0595
CLogS	-3.256
H Acceptors	11
H Donors	2
TotalSurfaceArea	196.08
Relative PSA	0.67248
PolarSurfaceArea	165.36
Druglikeness	4.6323
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63158
Fragments	1
Non HAtoms	19
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	4
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	1
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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