SMILES:
CCOC(=O)N=C1[SH]=CCN1c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C13H13F3N2O2S
Molecular weight
318.32
Exact mass
318.065
XLogP
3.31
TPSA
41.9
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
78.3
Supplementary Information
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