SMILES:
CC(C)(C)c1ccc(O)c(CN)c1Molecular Processing
Molecular formula
C11H17NO
Molecular weight
179.26
Exact mass
179.131
XLogP
2.15
TPSA
46.25
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
54.7
Supplementary Information
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