SMILES:
CCCc1cc(C(=O)OCC)cc(C)n1Molecular Processing
Molecular formula
C12H17NO2
Molecular weight
207.27
Exact mass
207.1259
XLogP
2.52
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
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
0.5
Molar refractivity
58.93
Supplementary Information
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