Molecule

ID:124300

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c16-14(17)9-6-7-13-11(8-9)10-4-2-1-3-5-12(10)15-13/h6-8,15H,1-5H2,(H,16,17)
InChIKey
SIZBLUIRHOCGJA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2c(c1)c1CCCCCc1[nH]2
Isomeric Smiles
[nH]1c2c(c3c1ccc(c3)C(=O)O)CCCCC2
Calculated Properties
JChem
Acid pKa
3.9744394
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8564702
LogD (pH = 7.4)
0.21696033
Log P
3.3905072
Molar Refractivity
66.5154
Polarizability
26.182304
Polar Surface Area
53.09
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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