이름: trans-2-Bromomethyl-N-cyanomethylcyclohexanecarboxamide
SMILES:
N#CCNC(=O)[C@@H]1CCCC[C@H]1CBrMolecular Processing
Molecular formula
C10H15BrN2O
Molecular weight
259.15
Exact mass
258.0368
XLogP
1.83
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
57.86
Supplementary Information
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