Molecule

ID:78733

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12)
InChIKey
NWINIEGDLHHNLH-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(O)c2c(n1)cccc2
Isomeric Smiles
n1c(cc(c2c1cccc2)O)C
Calculated Properties
JChem
Acid pKa
10.792491
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9567364
LogD (pH = 7.4)
1.9585068
Log P
1.9587053
Molar Refractivity
46.5517
Polarizability
19.358475
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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