Molecule

ID:67942

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-5-6-8-3-2-4-9(12)10(8)11-7/h2-6,12H,1H3
InChIKey
NBYLBWHHTUWMER-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)c(O)ccc2
Isomeric Smiles
n1c(ccc2cccc(c12)O)C
Calculated Properties
JChem
Acid pKa
9.375134
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6988455
LogD (pH = 7.4)
1.9469893
Log P
1.9587053
Molar Refractivity
46.5517
Polarizability
19.363688
Polar Surface Area
33.12
Rotatable Bonds
0
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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