الاسم: 2-[4-(3,3-dimethyl-butyryl)-benzyl]-isoindole-1,3-dione
SMILES:
CC(C)(C)CC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1Molecular Processing
Molecular formula
C21H21NO3
Molecular weight
335.4
Exact mass
335.1521
XLogP
4.1
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
95.49
Supplementary Information
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