Molecule

ID:14249

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-7-5-8(3-4-10(7)15-2)9(12)6-11(13)14/h3-5,9H,6,12H2,1-2H3,(H,13,14)
InChIKey
CFXUSSDPPUMXQG-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1C)C(CC(=O)O)N
Isomeric Smiles
c1(cc(c(cc1)OC)C)C(CC(=O)O)N
Calculated Properties
JChem
Acid pKa
3.7920196
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.0399292
LogD (pH = 7.4)
-1.0343298
Log P
-1.0336742
Molar Refractivity
56.49
Polarizability
22.176453
Polar Surface Area
72.55
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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