Molecule

ID:30372

General Information
Structure
Molecular Formula
C₁₂H₁₃NO₂
Molecular Mass
203.23712
Exact Mass
203.09462866
Charge
0
InChI
InChI=1S/C12H13NO2/c1-7-4-5-10-9(6-7)8(2)11(12(14)15)13(10)3/h4-6H,1-3H3,(H,14,15)
InChIKey
ORZQQOIVPVKEIS-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)c(C)c(n2C)C(=O)O
Isomeric Smiles
n1(c(c(c2c1ccc(c2)C)C)C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.2374969
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.65811473
LogD (pH = 7.4)
-0.5384976
Log P
2.9001107
Molar Refractivity
59.2573
Polarizability
23.157328
Polar Surface Area
42.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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