COc1c(C=O)ccc([N+](=O)[O-])c1Cl
SMILES: COc1c(C=O)ccc([N+](=O)[O-])c1Cl

Molecular Processing

Molecular formula
C8H6ClNO4
Molecular weight
215.59
Exact mass
214.9985
XLogP
2.07
TPSA
69.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
50.05

Supplementary Information

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