Название: 4-(2,5-dichloro-phenoxy)-3-fluoro-phenylisothiocyanate
SMILES:
Fc1cc(N=C=S)ccc1Oc1cc(Cl)ccc1ClMolecular Processing
Molecular formula
C13H6Cl2FNOS
Molecular weight
314.17
Exact mass
312.9531
XLogP
5.66
TPSA
21.59
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
77.62
Supplementary Information
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