Molecule

ID:127426

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁ClO₅
Molecular Mass
306.69784
Exact Mass
306.02950113
Charge
0
InChI
InChI=1S/C15H10O5.ClH/c16-10-3-1-8-5-13(19)15(20-14(8)7-10)9-2-4-11(17)12(18)6-9;/h1-7H,(H3-,16,17,18,19);1H
InChIKey
GLSBVYMMIPVYDC-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)[o+]c(c(c2)O)c1ccc(c(c1)O)O.[Cl-]
Isomeric Smiles
c1cc(cc2[o+]c(c(cc12)O)c1cc(c(cc1)O)O)O.[Cl-]
Calculated Properties
JChem
Acid pKa
5.9569173
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
3.2103138
LogD (pH = 7.4)
1.9795176
Log P
3.3347
Molar Refractivity
82.1322
Polarizability
29.732052
Polar Surface Area
94.06
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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