Molecule

ID:15854

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-14-9-5-3-2-4-7(9)8(11)6-10(12)13/h2-5,8H,6,11H2,1H3,(H,12,13)
InChIKey
UAZGIQATDPCZHH-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1C(CC(=O)O)N
Isomeric Smiles
c1ccc(c(c1)OC)C(N)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.660821
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.5513659
LogD (pH = 7.4)
-1.5510136
Log P
-1.5479656
Molar Refractivity
51.4488
Polarizability
20.414846
Polar Surface Area
72.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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