Molecule

ID:67669

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO
Molecular Mass
169.17938
Exact Mass
169.05276385
Charge
0
InChI
InChI=1S/C11H7NO/c12-7-8-1-2-10-6-11(13)4-3-9(10)5-8/h1-6,13H
InChIKey
WKTNIBWKHNIPQR-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc2c(c1)ccc(c2)O
Isomeric Smiles
c1c(ccc2cc(ccc12)C#N)O
Calculated Properties
JChem
Acid pKa
8.926717
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.515092
LogD (pH = 7.4)
2.502605
Log P
2.5152535
Molar Refractivity
50.2107
Polarizability
20.318983
Polar Surface Area
44.02
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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