Name: opianic acid
SMILES:
COc1ccc(C=O)c(C(=O)O)c1OCMolecular Processing
Molecular formula
C10H10O5
Molecular weight
210.18
Exact mass
210.0528
XLogP
1.21
TPSA
72.83
H-bond donors
1
H-bond acceptors
4
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
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
51.89
Supplementary Information
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