O=Cc1cc(C2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]
Name: compound ( iv )
SMILES: O=Cc1cc(C2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]

Molecular Processing

Molecular formula
C10H8N2O5
Molecular weight
236.18
Exact mass
236.0433
XLogP
2.19
TPSA
103.35
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
57.11

Supplementary Information

Details werden geladen…

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