SMILES:
COc1cc(CN)ccc1OMolecular Processing
Molecular formula
C8H11NO2
Molecular weight
153.18
Exact mass
153.079
XLogP
0.86
TPSA
55.48
H-bond donors
2
H-bond acceptors
3
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
42.55
Supplementary Information
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