Molecule

ID:13036

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-13-10(12)6-4-8-9(5-7(6)11)15-3-2-14-8/h4-5H,2-3,11H2,1H3
InChIKey
FOTPSTARXZXRFU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2OCCOc2cc1N
Isomeric Smiles
O1CCOc2c1cc(c(c2)C(=O)OC)N
Calculated Properties
JChem
Acid pKa
19.776352
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.3106656
LogD (pH = 7.4)
1.3109261
Log P
1.3109293
Molar Refractivity
53.7411
Polarizability
20.264196
Polar Surface Area
70.78
Rotatable Bonds
2
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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