Molecule

ID:84892

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-2-14-8-3-4-9(11)7(5-8)6-10(12)13/h3-5H,2,6,11H2,1H3,(H,12,13)
InChIKey
FMDYSVYJEDAXHA-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(c(c1)CC(=O)O)N
Isomeric Smiles
O=C(Cc1c(ccc(c1)OCC)N)O
Calculated Properties
JChem
Acid pKa
3.3672686
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.29792997
LogD (pH = 7.4)
-1.9250567
Log P
0.103227206
Molar Refractivity
53.2778
Polarizability
20.040033
Polar Surface Area
72.55
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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