SMILES:
Cc1c(C)c2c(c(C)c1NC=O)CC(C)(CBr)O2Molecular Processing
Molecular formula
C14H18BrNO2
Molecular weight
312.21
Exact mass
311.0521
XLogP
3.27
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
18
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
0.5
Molar refractivity
76.87
Supplementary Information
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