SMILES:
COC(=O)c1ccc(C(C)(C)C)[nH]1Molecular Processing
Molecular formula
C10H15NO2
Molecular weight
181.23
Exact mass
181.1103
XLogP
2.1
TPSA
42.09
H-bond donors
1
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
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
50.83
Supplementary Information
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