SMILES:
COc1ncc(O)cc1ClMolecular Processing
Molecular formula
C6H6ClNO2
Molecular weight
159.57
Exact mass
159.0087
XLogP
1.45
TPSA
42.35
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
37.46
Supplementary Information
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