名称: trans-[4-(5-Bromo-pentyl)-cyclohexyl]-methyl-carbamic acid benzyl ester
SMILES:
CN(C(=O)OCc1ccccc1)[C@H]1CC[C@H](CCCCCBr)CC1Molecular Processing
Molecular formula
C20H30BrNO2
Molecular weight
396.37
Exact mass
395.146
XLogP
5.77
TPSA
29.54
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
8
Heavy atoms
24
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
102.4
Supplementary Information
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