SMILES:
CCOC(=O)C(Cl)(Cl)CCCCCCCCCCCCBrMolecular Processing
Molecular formula
C16H29BrCl2O2
Molecular weight
404.22
Exact mass
402.0728
XLogP
6.41
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
14
Heavy atoms
21
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.938
Molar refractivity
95.65
Supplementary Information
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