SMILES:
COc1cc2c(=O)c3c(Cl)ccc([N+](=O)[O-])c3[nH]c2cc1ClMolecular Processing
Molecular formula
C14H8Cl2N2O4
Molecular weight
339.13
Exact mass
337.9861
XLogP
3.9
TPSA
85.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.071
Molar refractivity
85.3
Supplementary Information
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