이름: 2-bromo-4-methyl-1-tetralone
SMILES:
CC1CC(Br)C(=O)c2ccccc21Molecular Processing
Molecular formula
C11H11BrO
Molecular weight
239.11
Exact mass
237.9993
XLogP
3.14
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
2
Undefined stereo
2
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
56.52
Supplementary Information
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