Molecule

ID:116833

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,14H2,1H3
InChIKey
OWSZMZAENZHDLB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(c1ccc2c(c1)cccc2)N
Isomeric Smiles
c1(C(C(=O)OC)N)cc2c(cc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7570316
LogD (pH = 7.4)
1.8544149
Log P
1.9243246
Molar Refractivity
61.5806
Polarizability
25.681198
Polar Surface Area
52.32
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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