COc1cc2c(cc1C=O)N(C)C(=O)C1CC21
SMILES: COc1cc2c(cc1C=O)N(C)C(=O)C1CC21

Molecular Processing

Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
1.59
TPSA
46.61
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.64

Supplementary Information

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