Название: 2-(((2S,3R)-3-methylpiperidin-2-yl)methyl)isoindoline-1,3-dione
SMILES:
C[C@@H]1CCCN[C@@H]1CN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C15H18N2O2
Molecular weight
258.32
Exact mass
258.1368
XLogP
1.67
TPSA
49.41
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.467
Molar refractivity
72
Supplementary Information
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