Name: 4-(bromo-cyano-methylidene)-piperidine-1-carboxylic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N1CCC(=C(Br)C#N)CC1Molecular Processing
Molecular formula
C12H17BrN2O2
Molecular weight
301.18
Exact mass
300.0473
XLogP
3.19
TPSA
53.33
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
68.61
Supplementary Information
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