Name: Compound I
SMILES:
CC(C)(C=O)c1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C11H12O3
Molecular weight
192.21
Exact mass
192.0786
XLogP
1.89
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
51.66
Supplementary Information
No supplementary data available
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