Name: 25
SMILES:
CC(C)(C)OC(=O)NC1C2CC3(Br)CC1CC(Br)(C2)C3Molecular Processing
Molecular formula
C15H23Br2NO2
Molecular weight
409.16
Exact mass
407.0096
XLogP
4.37
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.933
Molar refractivity
86.54
Supplementary Information
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