Molecule

ID:18210

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃NO₂
Molecular Mass
215.24782
Exact Mass
215.09462866
Charge
0
InChI
InChI=1S/C13H13NO2/c1-16-13-7-3-2-5-11(13)9-14-8-4-6-12(14)10-15/h2-8,10H,9H2,1H3
InChIKey
YRTIIVVKYMWUMF-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1Cn1cccc1C=O
Isomeric Smiles
n1(c(ccc1)C=O)Cc1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4761114
LogD (pH = 7.4)
2.4761114
Log P
2.4761114
Molar Refractivity
63.2508
Polarizability
23.805803
Polar Surface Area
31.23
Rotatable Bonds
4
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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