O=[N+]([O-])c1cc(Cl)cc2c1OCC2
SMILES: O=[N+]([O-])c1cc(Cl)cc2c1OCC2

Molecular Processing

Molecular formula
C8H6ClNO3
Molecular weight
199.59
Exact mass
199.0036
XLogP
2.18
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
47.31

Supplementary Information

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