이름: methyl 4-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-3-oxo-butyrate
SMILES:
COC(=O)CC(=O)CN1C(=O)c2ccccc2C1=OMolecular Processing
Molecular formula
C13H11NO5
Molecular weight
261.23
Exact mass
261.0637
XLogP
0.41
TPSA
80.75
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
63.45
Supplementary Information
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