SMILES:
CC1(O)CC(=O)OC(C=Cc2ccccc2)C1(C)BrMolecular Processing
Molecular formula
C15H17BrO3
Molecular weight
325.2
Exact mass
324.0361
XLogP
2.92
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
77.93
Supplementary Information
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