Название: 3-[4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]phenyl]sulfanylpropanoic acid
SMILES:
C1=CC(=C(C=C1Cl)NS(=O)(=O)C2=C(C=C(C=C2)Cl)F)SCCC(=O)OMolecular Processing
Molecular formula
C15H12Cl2FNO4S2
Molecular weight
424.3
Exact mass
422.9569
XLogP
4.5
TPSA
83.47
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
96.65
Supplementary Information
InChIKey: DSTRJOAUEBZQDK-UHFFFAOYSA-N
Синонимы
SCHEMBL15123077DSTRJOAUEBZQDK-UHFFFAOYSA-N3-[(4-chloro-2-{[(4-chloro-2-fluorophenyl)sulfonyl]amino}phenyl)sulfanyl]propanoic acid
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