Molecule

ID:31415

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₅NO₂
Molecular Mass
229.2744
Exact Mass
229.11027873
Charge
0
InChI
InChI=1S/C14H15NO2/c1-10-6-7-11(2)15(10)9-12-4-3-5-13(8-12)14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
InChIKey
UANBDJDZJQTPIW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)Cn1c(C)ccc1C
Isomeric Smiles
n1(c(ccc1C)C)Cc1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
4.0380216
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.584971
LogD (pH = 7.4)
-0.07887244
Log P
3.0579846
Molar Refractivity
67.8817
Polarizability
25.237099
Polar Surface Area
42.23
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
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Molecule Details
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References
Bioactivity
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