SMILES:
COc1cc(Cl)c(-c2cc(Cl)ccc2Cl)cc1CCOMolecular Processing
Molecular formula
C15H13Cl3O2
Molecular weight
331.63
Exact mass
329.9981
XLogP
4.86
TPSA
29.46
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
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
84.25
Supplementary Information
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