Name: (3aS,4S,6R,7aR)-4-(2-methoxyphenyl)-6-methyl-4-perhydroisoindolol
SMILES:
COc1ccccc1[C@]1(O)C[C@H](C)C[C@H]2CNC[C@H]21Molecular Processing
Molecular formula
C16H23NO2
Molecular weight
261.36
Exact mass
261.1729
XLogP
2.15
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
75.14
Supplementary Information
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