Molecule

ID:79861

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-2-3-8-6-9(12)4-5-10(8)11-7/h2-6,12H,1H3
InChIKey
USSQQASIZNTRAJ-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)ccc(n2)C
Isomeric Smiles
n1c(ccc2cc(ccc12)O)C
Calculated Properties
JChem
Acid pKa
9.75438
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.7612628
LogD (pH = 7.4)
1.9527342
Log P
1.9587053
Molar Refractivity
46.5517
Polarizability
19.35695
Polar Surface Area
33.12
Rotatable Bonds
0
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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