SMILES:
CC1(C)CCc2cc(C#N)c(O)cc2O1Molecular Processing
Molecular formula
C12H13NO2
Molecular weight
203.24
Exact mass
203.0946
XLogP
2.37
TPSA
53.25
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
55.85
Supplementary Information
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