SMILES:
COC(=O)C=CCC1C(=O)N2C1CC(Cl)(S(=O)c1ccccc1)C2C(=O)OCc1ccccc1Molecular Processing
Molecular formula
C25H24ClNO6S
Molecular weight
501.99
Exact mass
501.1013
XLogP
3.19
TPSA
89.98
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
34
Rings
4
Aromatic rings
2
Saturated rings
2
Aliphatic rings
2
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.32
Molar refractivity
125.97
Supplementary Information
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