SMILES:
OCCOc1cc(Cl)nc(SCc2cccc(F)c2F)n1Molecular Processing
Molecular formula
C13H11ClF2N2O2S
Molecular weight
332.76
Exact mass
332.0198
XLogP
3.07
TPSA
55.24
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
75.54
Supplementary Information
Details werden geladen…
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