N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide

Formula:C9H8N6O4 Mutagenic:high Tumorigenic:high Reproductive Effective:low N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-(5-nitrofuran-2-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormula	C9H8N6O4
Smiles	[O-][N+](c1ccc(/C=N\NC(Cn2ncnc2)=O)o1)=O
InChI	InChI=1S/C9H8N6O4/c16-8(4-14-6-10-5-12-14)13-11-3-7-1-2-9(19-7)15(17)18/h1-3,5-6H,4H2,(H,13,16)
InChIK	ZMRNITMSGJYDCO-UHFFFAOYSA-N
TotalMolweight	264.201
Molweight	264.201
MonoisotopicMass	264.060704
CLogP	-0.7467
CLogS	-2.999
H Acceptors	10
H Donors	1
TotalSurfaceArea	200.83
Relative PSA	0.54449
PolarSurfaceArea	131.13
Druglikeness	4.7201
Mutagenic	high
Tumorigenic	high
Reproductive Effective	low
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.68421
Fragments	1
Non HAtoms	19
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	5
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	10
Sp3Atoms	2
Aromatic Nitrogens	3
AcidicOxygens	1
StereoCon

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