Molecule

ID:75555

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₅
Molecular Mass
256.25514
Exact Mass
256.10592162
Charge
0
InChI
InChI=1S/C11H16N2O5/c1-5-16-8(14)7-6-12-9(17-7)13-10(15)18-11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
InChIKey
KKWALHUVCIYBSO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc(o1)NC(=O)OC(C)(C)C
Isomeric Smiles
n1c(oc(c1)C(=O)OCC)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
11.545381
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.790634
LogD (pH = 7.4)
1.7906048
Log P
1.7906344
Molar Refractivity
63.1843
Polarizability
23.854221
Polar Surface Area
90.66
Rotatable Bonds
6
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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