Nombre: (3aRS,4RS,5RS,7aRS)-7,7-dimethyl-4-(2-methoxyphenyl)-4,5-perhydroisoindolediol
SMILES:
COc1ccccc1C1(O)C(O)CC(C)(C)C2CNCC21Molecular Processing
Molecular formula
C17H25NO3
Molecular weight
291.39
Exact mass
291.1834
XLogP
1.51
TPSA
61.72
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.647
Molar refractivity
81.15
Supplementary Information
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