Molecule

ID:71068

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁NO₄
Molecular Mass
209.19864
Exact Mass
209.06880784
Charge
0
InChI
InChI=1S/C10H11NO4/c1-14-10(13)6-5-15-7-3-2-4-8(12)11-9(6)7/h5H,2-4H2,1H3,(H,11,12)
InChIKey
MPVXNDOJMBNNMX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1coc2c1NC(=O)CCC2
Isomeric Smiles
c1(c2NC(=O)CCCc2oc1)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.276542
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.519003
LogD (pH = 7.4)
1.5189488
Log P
1.5190036
Molar Refractivity
53.3571
Polarizability
19.56704
Polar Surface Area
68.54
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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