Molecule

ID:123239

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₄
Molecular Mass
225.2411
Exact Mass
225.10010797
Charge
0
InChI
InChI=1S/C11H15NO4/c1-15-8-3-7(4-9(5-8)16-2)10(12)6-11(13)14/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKey
HUPNLRFWWQFWCS-UHFFFAOYSA-N
Canonic Smiles
COc1cc(cc(c1)OC)C(CC(=O)O)N
Isomeric Smiles
C(C(=O)O)C(c1cc(cc(c1)OC)OC)N
Calculated Properties
JChem
Acid pKa
3.4017313
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.7069567
LogD (pH = 7.4)
-1.706132
Log P
-1.7049677
Molar Refractivity
57.912
Polarizability
22.953966
Polar Surface Area
81.78
Rotatable Bonds
5
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
No Data Available
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Molecule Details
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References
Bioactivity
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