SMILES:
COc1nccnc1ClMolecular Processing
Molecular formula
C5H5ClN2O
Molecular weight
144.56
Exact mass
144.009
XLogP
1.14
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
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
0.2
Molar refractivity
33.59
Supplementary Information
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