名称: 3-(5-bromo-1-oxo-1,3-dihydro-isoindol-2-yl)-3-methyl-piperidine-2,6-dione
SMILES:
CC1(N2Cc3cc(Br)ccc3C2=O)CCC(=O)NC1=OMolecular Processing
Molecular formula
C14H13BrN2O3
Molecular weight
337.17
Exact mass
336.011
XLogP
1.6
TPSA
66.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
74.8
Supplementary Information
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