Molecule

ID:34648

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₄
Molecular Mass
211.21452
Exact Mass
211.0844579
Charge
0
InChI
InChI=1S/C10H13NO4/c1-13-8-4-6(10(12)15-3)7(11)5-9(8)14-2/h4-5H,11H2,1-3H3
InChIKey
QQFHCCQSCQBKBG-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc(OC)c(cc1N)OC
Isomeric Smiles
c1(c(cc(c(c1)OC)OC)N)C(=O)OC
Calculated Properties
JChem
Acid pKa
19.825184
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4821382
LogD (pH = 7.4)
1.4824504
Log P
1.4824543
Molar Refractivity
55.7101
Polarizability
20.975845
Polar Surface Area
70.78
Rotatable Bonds
4
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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