이름: alcohol
SMILES:
OC1CCC=C1BrMolecular Processing
Molecular formula
C5H7BrO
Molecular weight
163.01
Exact mass
161.968
XLogP
1.42
TPSA
20.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Rings
1
Aromatic rings
0
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
32.25
Supplementary Information
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