SMILES:
COCCc1sccc1BrMolecular Processing
Molecular formula
C7H9BrOS
Molecular weight
221.12
Exact mass
219.9557
XLogP
2.7
TPSA
9.23
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
10
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
0.429
Molar refractivity
47.6
Supplementary Information
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