SMILES:
COc1ccc(COC(C(=O)OCc2cccnc2)C(C)(C)COS(=O)(=O)CCCCl)cc1Molecular Processing
Molecular formula
C23H30ClNO7S
Molecular weight
500.01
Exact mass
499.1432
XLogP
3.72
TPSA
101.02
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
14
Heavy atoms
33
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.478
Molar refractivity
124.46
Supplementary Information
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