O=C1C2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12
SMILES: O=C1C2CCCN2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12

Molecular Processing

Molecular formula
C16H13N3O4
Molecular weight
311.3
Exact mass
311.0906
XLogP
2.68
TPSA
83.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
83.21

Supplementary Information

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