SMILES:
COc1cc2c(c(Cl)c1Cl)C(=O)C(C)C2Molecular Processing
Molecular formula
C11H10Cl2O2
Molecular weight
245.1
Exact mass
244.0058
XLogP
3.38
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
60.21
Supplementary Information
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