Название: 3-chloro-4-hydroxy-5-methoxy-benzonitrile
SMILES:
COc1cc(C#N)cc(Cl)c1OMolecular Processing
Molecular formula
C8H6ClNO2
Molecular weight
183.59
Exact mass
183.0087
XLogP
1.93
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
44.38
Supplementary Information
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