Molecule

ID:127061

General Information
Structure
MolImage
Molecular Formula
C₉H₉NO₅
Molecular Mass
211.17146
Exact Mass
211.04807239
Charge
0
InChI
InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
InChIKey
GDNZNIJPBQATCZ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc2c(c1)OC(C(=O)N2O)O
Isomeric Smiles
ON1c2ccc(OC)cc2OC(O)C1=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.19
LogD (pH = 5.5)
-0.06
Log P
-0.05
Rotatable Bonds
1
H Donor
2
H Acceptors
5
Lipinski's Rule of Five
true
Acid pKa
7.85
Polar Surface Area
79.23
Polarizability
19.15
Molar Refractivity
48.47
LOG S
-1.32
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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