Molecule

ID:31146

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₃
Molecular Mass
209.2417
Exact Mass
209.10519335
Charge
0
InChI
InChI=1S/C11H15NO3/c1-12(8-11(13)14)7-9-4-3-5-10(6-9)15-2/h3-6H,7-8H2,1-2H3,(H,13,14)
InChIKey
NZMYITHOCWGRMZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CN(CC(=O)O)C
Isomeric Smiles
C(=O)(CN(Cc1cc(OC)ccc1)C)O
Calculated Properties
JChem
Acid pKa
1.4754403
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.4937624
LogD (pH = 7.4)
-1.4995869
Log P
-1.4937847
Molar Refractivity
57.1485
Polarizability
22.251728
Polar Surface Area
49.77
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
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Molecule Details
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References
Bioactivity
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