Molecule

ID:76563

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c12-10-5-3-9(4-6-10)11-7-1-2-8-11/h1-8,12H
InChIKey
SSRBBYUGRMSIBT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(cc2)O)cccc1
Calculated Properties
JChem
Acid pKa
11.091846
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.2773988
LogD (pH = 7.4)
2.277312
Log P
2.2774
Molar Refractivity
57.7913
Polarizability
18.940578
Polar Surface Area
25.16
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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