Cn1nnc2cc([N+](=O)[O-])ccc21
SMILES: Cn1nnc2cc([N+](=O)[O-])ccc21

Molecular Processing

Molecular formula
C7H6N4O2
Molecular weight
178.15
Exact mass
178.0491
XLogP
0.88
TPSA
73.85
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
45.16

Supplementary Information

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