Molecule

ID:118132

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-12-9-6-2-4-8-5-3-7-11-10(8)9/h2-7H,1H3
InChIKey
ZLKGGEBOALGXJZ-UHFFFAOYSA-N
Canonic Smiles
COc1cccc2c1nccc2
Isomeric Smiles
c12ncccc2cccc1OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9722428
LogD (pH = 7.4)
1.9732168
Log P
1.9732292
Molar Refractivity
46.4425
Polarizability
19.523212
Polar Surface Area
22.12
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
No Data Available
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Molecule Details
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References
Bioactivity
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