Molecule

ID:37481

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-9-12(7-15)11-4-2-3-5-13(11)14(9)6-10-8-16-10/h2-5,7,10H,6,8H2,1H3
InChIKey
ODKRYFQSRACIJN-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)n(c2c1cccc2)CC1CO1
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC1CO1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.049014
LogD (pH = 7.4)
2.049014
Log P
2.049014
Molar Refractivity
62.5196
Polarizability
24.609293
Polar Surface Area
34.53
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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