SMILES:
COc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C1CCCC1)C2Molecular Processing
Molecular formula
C16H18Cl2O2
Molecular weight
313.22
Exact mass
312.0684
XLogP
4.94
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
81.11
Supplementary Information
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