Name: 4-bromo-2,6-dimethylindan-1-one
SMILES:
Cc1cc(Br)c2c(c1)C(=O)C(C)C2Molecular Processing
Molecular formula
C11H11BrO
Molecular weight
239.11
Exact mass
237.9993
XLogP
3.13
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
56.08
Supplementary Information
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