Name: toluene
SMILES:
CN1CCC[C@]1(C)C(=O)OMolecular Processing
Molecular formula
C7H13NO2
Molecular weight
143.19
Exact mass
143.0946
XLogP
0.56
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
37.9
Supplementary Information
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