SMILES:
COc1ccc(Cl)c([N+](=O)[O-])c1Molecular Processing
Molecular formula
C7H6ClNO3
Molecular weight
187.58
Exact mass
187.0036
XLogP
2.26
TPSA
52.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
44.66
Supplementary Information
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