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

Formula:C9H8N6O3S Mutagenic:none Tumorigenic:none Reproductive Effective:low N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide is a drug-like molecule.

MolName	N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]-2-(1,2,4-triazol-1-yl)acetamide
MolecularFormula	C9H8N6O3S
Smiles	[O-][N+](c1ccc(/C=N\NC(Cn2ncnc2)=O)s1)=O
InChI	InChI=1S/C9H8N6O3S/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	HBSKOYJZURMFEE-UHFFFAOYSA-N
TotalMolweight	280.268
Molweight	280.268
MonoisotopicMass	280.037859
CLogP	-0.2306
CLogS	-2.952
H Acceptors	9
H Donors	1
TotalSurfaceArea	207.08
Relative PSA	0.55824
PolarSurfaceArea	146.23
Druglikeness	2.3515
Mutagenic	none
Tumorigenic	none
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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