SMILES:
COc1cc(CN)ccc1ClMolecular Processing
Molecular formula
C8H10ClNO
Molecular weight
171.63
Exact mass
171.0451
XLogP
1.81
TPSA
35.25
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
45.9
Supplementary Information
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