CN(C)C(=O)[C@H]1CC[C@H](Br)[C@@H](O)C1
Name: (1S,3S,4S)-3-hydroxy-4-bromo-N,N-dimethylcyclohexanecarboxamide
SMILES: CN(C)C(=O)[C@H]1CC[C@H](Br)[C@@H](O)C1

Molecular Processing

Molecular formula
C9H16BrNO2
Molecular weight
250.14
Exact mass
249.0364
XLogP
1
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.889
Molar refractivity
54.76

Supplementary Information

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