Molecule

ID:59432

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-14-9-4-2-3-8(5-9)6-11-7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKey
OGPDDYUQRFSYEJ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)CNCC(=O)O
Isomeric Smiles
C(=O)(O)CNCc1cc(OC)ccc1
Calculated Properties
JChem
Acid pKa
1.6823062
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.6192601
LogD (pH = 7.4)
-1.6217649
Log P
-1.6192933
Molar Refractivity
51.8538
Polarizability
20.41513
Polar Surface Area
58.56
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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