CC(=O)OC1CSC(Oc2ccc(-c3cccnc3)cc2F)C(OC(C)=O)C1OC(C)=O
SMILES: CC(=O)OC1CSC(Oc2ccc(-c3cccnc3)cc2F)C(OC(C)=O)C1OC(C)=O

Molecular Processing

Molecular formula
C22H22FNO7S
Molecular weight
463.48
Exact mass
463.1101
XLogP
3.13
TPSA
101.02
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
32
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
113.17

Supplementary Information

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