SMILES:
COC(=O)CSc1cc(N=c2sc(=O)n3n2CC(OC)C3)c(F)cc1ClMolecular Processing
Molecular formula
C15H15ClFN3O4S2
Molecular weight
419.89
Exact mass
419.0177
XLogP
2.03
TPSA
74.82
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
96.74
Supplementary Information
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