Molecule

ID:10281

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-8-2-4-9(5-3-8)10-6-7-11-12-10/h2-7H,1H3
InChIKey
BJVLLTZZYAWHGW-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1ccno1
Isomeric Smiles
c1cnoc1c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4184365
LogD (pH = 7.4)
2.4184391
Log P
2.4184391
Molar Refractivity
47.5549
Polarizability
19.063826
Polar Surface Area
26.03
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
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Molecule Details
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References
Bioactivity
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