名称: (R)-5-bromo-2,3-dihydro-1H-inden-2-amine((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate
SMILES:
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)O)C(=O)C2.N[C@@H]1Cc2ccc(Br)cc2C1Molecular Processing
Molecular formula
C19H26BrNO4S
Molecular weight
444.39
Exact mass
443.0766
XLogP
3.14
TPSA
97.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
26
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
2
Fraction Csp3
0.632
Molar refractivity
104.5
Supplementary Information
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