SMILES:
Cc1c(C)c(Br)c(C)c(C)c1OMolecular Processing
Molecular formula
C10H13BrO
Molecular weight
229.12
Exact mass
228.015
XLogP
3.39
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
54.75
Supplementary Information
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