Molecule

ID:83321

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇NO
Molecular Mass
169.17938
Exact Mass
169.05276385
Charge
0
InChI
InChI=1S/C11H7NO/c13-11-8-5-1-3-7-4-2-6-9(12-11)10(7)8/h1-6H,(H,12,13)
InChIKey
GPYLCFQEKPUWLD-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]c2c3c1cccc3ccc2
Isomeric Smiles
[nH]1c(=O)c2cccc3c2c1ccc3
Calculated Properties
JChem
Acid pKa
10.56809
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.081358
LogD (pH = 7.4)
2.0810814
Log P
2.0813615
Molar Refractivity
51.9837
Polarizability
20.167452
Polar Surface Area
29.1
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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