Molecule

ID:35830

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₅NO₃
Molecular Mass
233.2631
Exact Mass
233.10519335
Charge
0
InChI
InChI=1S/C13H15NO3/c1-8(2)11(13(16)17)14-7-9-5-3-4-6-10(9)12(14)15/h3-6,8,11H,7H2,1-2H3,(H,16,17)
InChIKey
JULAETYRRYJIAR-UHFFFAOYSA-N
Canonic Smiles
CC(C(N1Cc2c(C1=O)cccc2)C(=O)O)C
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)C(C(=O)O)C(C)C
Calculated Properties
JChem
Acid pKa
3.7173436
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.1746402
LogD (pH = 7.4)
-1.3417017
Log P
1.9567083
Molar Refractivity
63.0585
Polarizability
24.00983
Polar Surface Area
57.61
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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