Common name
phenylmercury derivative of pyrocatechol
Formula
C12H10HgO2
CAS
IUPAC name
phenylmercuric pyrocatecholate
SMILES
c1ccc(c(c1)[O-])O.c1cc[c]cc1.[Hg+]
INCHI
InChI=1S/C6H6O2.C6H5.Hg/c7-5-3-1-2-4-6(5)8;1-2-4-6-5-3-1;/h1-4,7-8H;1-5H;/q;;+1/p-1
Physicochemical Properties
Molecular weight:
Molar refractivity:
Num. bonds:
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Num. P atoms:
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Complexity of system:
Lipophilicity
ALogP:
MLogP:
XLogP:
Water Solubility
CLogS:
Geometric
PPSA-1:
PNSA-1:
RPCS:
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THSA:
TPSA:
RHSA:
RPSA:
Electrostatic
RPCG:
RNCG:
Flexibility
Num. Rot. bonds: 3
Frac. of Rot. bonds:
AgroPAD
Photostability
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Topological
topoRadius:
topoDiameter:
TopoPSA:
Fungicide-likeness scores
The higher the score, the better the fungicide-likeness
RDL:
QEF:
Gau:
