SMILES:
CCCCCCCCOc1ccc(C(=O)O)cc1BrMolecular Processing
Molecular formula
C15H21BrO3
Molecular weight
329.23
Exact mass
328.0674
XLogP
4.89
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
9
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
79.97
Supplementary Information
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