Molecule

ID:79312

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃NO₃
Molecular Mass
195.21512
Exact Mass
195.08954328
Charge
0
InChI
InChI=1S/C10H13NO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,11H2,1-2H3,(H,12,13)
InChIKey
JTARICLTMYASES-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Oc1ccc(cc1)N)(C)C
Isomeric Smiles
O(c1ccc(cc1)N)C(C(=O)O)(C)C
Calculated Properties
JChem
Acid pKa
3.7832837
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.10317075
LogD (pH = 7.4)
-1.6599461
Log P
0.2668794
Molar Refractivity
52.5134
Polarizability
20.043016
Polar Surface Area
72.55
Rotatable Bonds
3
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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