azanium N-oxido-N-phenylnitrous amide
C₆H₉N₃O₂·155.150 g/mol·CID 2724103
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
155.150g/mol
Exact Mass
155.069477Da
Monoisotopic Mass
155.069477Da
XLogP
—
Polar Surface Area
56.7Ų
Complexity
112
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
4
Rotatable Bonds
1
Heavy Atoms
11
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 155.2 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H301Toxic if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritationH351Suspected of causing cancerH350May cause cancerH373May causes damage to organs through prolonged or repeated exposure
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C6H5N2O2.H3N/c9-7-8(10)6-4-2-1-3-5-6;/h1-5H;1H3/q-1;/p+1