SMILES:
CCOC(=O)N=C1[SH]=C(Br)CN1c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C13H12BrF3N2O2S
Molecular weight
397.22
Exact mass
395.9755
XLogP
4.03
TPSA
41.9
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
86.17
Supplementary Information
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