COc1cccc(CN2N=C(c3c(C)n(CC(=O)O)c4ccc(F)cc34)c3ccccc3S2(=O)=O)c1
SMILES: COc1cccc(CN2N=C(c3c(C)n(CC(=O)O)c4ccc(F)cc34)c3ccccc3S2(=O)=O)c1

Molecular Processing

Molecular formula
C26H22FN3O5S
Molecular weight
507.54
Exact mass
507.1264
XLogP
4.14
TPSA
101.2
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
36
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.154
Molar refractivity
132.07

Supplementary Information

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