이름: trans-[4-(5-Bromo-pentyl)-cyclohexyl]-carbamic acid tert-butyl ester
SMILES:
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCCCCBr)CC1Molecular Processing
Molecular formula
C16H30BrNO2
Molecular weight
348.32
Exact mass
347.146
XLogP
5.03
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
6
Heavy atoms
20
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.938
Molar refractivity
87.38
Supplementary Information
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