Molecule

ID:50960

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁NO₅
Molecular Mass
237.20874
Exact Mass
237.06372246
Charge
0
InChI
InChI=1S/C11H11NO5/c1-15-8-4-6(11(14)16-2)3-7-10(8)17-5-9(13)12-7/h3-4H,5H2,1-2H3,(H,12,13)
InChIKey
FNBPKBFMTQVPII-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2NC(=O)COc2c(c1)OC
Isomeric Smiles
c12c(OCC(=O)N1)c(cc(C(=O)OC)c2)OC
Calculated Properties
JChem
Acid pKa
11.279285
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.6004189
LogD (pH = 7.4)
0.60036516
Log P
0.60041964
Molar Refractivity
59.3136
Polarizability
22.21275
Polar Surface Area
73.86
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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