SMILES:
COc1cc(C(=O)Cl)cc2c1OC(C)(C)O2Molecular Processing
Molecular formula
C11H11ClO4
Molecular weight
242.66
Exact mass
242.0346
XLogP
2.58
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.51
Supplementary Information
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