Название: 2-Cyano-2-[4-(2,5-dichloro-phenoxy)-3-fluoro-phenylthiocarbamoyl]-acetamide
SMILES:
N#CC(C(N)=O)C(=S)Nc1ccc(Oc2cc(Cl)ccc2Cl)c(F)c1Molecular Processing
Molecular formula
C16H10Cl2FN3O2S
Molecular weight
398.25
Exact mass
396.9855
XLogP
4.29
TPSA
88.14
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.062
Molar refractivity
97.45
Supplementary Information
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