SMILES:
CC(C)CCC1(c2ccccc2)CC(O)=C(Br)C(=O)O1Molecular Processing
Molecular formula
C16H19BrO3
Molecular weight
339.23
Exact mass
338.0518
XLogP
4.43
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
81.48
Supplementary Information
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