الاسم: (3aRS,5RS,7aRS)-5-acetoxy-2-benzyl-7,7-dimethyl-4-perhydroisoindolone
SMILES:
CC(=O)OC1CC(C)(C)C2CN(Cc3ccccc3)CC2C1=OMolecular Processing
Molecular formula
C19H25NO3
Molecular weight
315.41
Exact mass
315.1834
XLogP
2.67
TPSA
46.61
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
23
Rings
3
Aromatic rings
1
Saturated rings
2
Aliphatic rings
2
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.579
Molar refractivity
87.66
Supplementary Information
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