SMILES:
COc1ccc(C(=O)Cl)c2cccnc12.ClMolecular Processing
Molecular formula
C11H9Cl2NO2
Molecular weight
258.1
Exact mass
257.001
XLogP
3.04
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.091
Molar refractivity
65.73
Supplementary Information
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