COc1c(Br)cc(C(C)(OC)OC)cc1C(C)(C)C
SMILES: COc1c(Br)cc(C(C)(OC)OC)cc1C(C)(C)C

Molecular Processing

Molecular formula
C15H23BrO3
Molecular weight
331.25
Exact mass
330.0831
XLogP
4.22
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
80.76

Supplementary Information

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