SMILES:
COc1cc(NC(C)=O)ccc1C(C)CMolecular Processing
Molecular formula
C12H17NO2
Molecular weight
207.27
Exact mass
207.1259
XLogP
2.78
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
15
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
0.417
Molar refractivity
61.39
Supplementary Information
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