이름: compound D2
SMILES:
CC(C)(C)OC(=O)/C=C/c1ccn(S(=O)(=O)c2ccc(CBr)cc2)c1Molecular Processing
Molecular formula
C18H20BrNO4S
Molecular weight
426.33
Exact mass
425.0296
XLogP
3.97
TPSA
65.37
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
100.97
Supplementary Information
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