SMILES:
COc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(SCC(=O)O)s2)cc1FMolecular Processing
Molecular formula
C19H22FN3O4S2
Molecular weight
439.53
Exact mass
439.1036
XLogP
4.7
TPSA
91.76
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
8
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.421
Molar refractivity
111.75
Supplementary Information
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