이름: [(2R)-8-methyl-2,3-dihydro[1,4]dioxino[2,3-f]quinolin-2-yl]methyl 4-bromobenzenesulfonate
SMILES:
Cc1ccc2c3c(ccc2n1)OC[C@H](COS(=O)(=O)c1ccc(Br)cc1)O3Molecular Processing
Molecular formula
C19H16BrNO5S
Molecular weight
450.31
Exact mass
448.9933
XLogP
3.85
TPSA
74.72
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
27
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
103.67
Supplementary Information
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