Cc1cc(Br)cc(C)c1CC=CC(=O)O
SMILES: Cc1cc(Br)cc(C)c1CC=CC(=O)O

Molecular Processing

Molecular formula
C12H13BrO2
Molecular weight
269.14
Exact mass
268.0099
XLogP
3.25
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
15
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
64.1

Supplementary Information

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