Molecule

ID:8671

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO
Molecular Mass
171.19526
Exact Mass
171.06841391
Charge
0
InChI
InChI=1S/C11H9NO/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,(H2,12,13)
InChIKey
RMHJJUOPOWPRBP-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1cccc2c1cccc2
Isomeric Smiles
NC(=O)c1c2c(ccc1)cccc2
Calculated Properties
JChem
Acid pKa
14.968462
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8133625
LogD (pH = 7.4)
1.8133628
Log P
1.8133628
Molar Refractivity
51.5866
Polarizability
20.7181
Polar Surface Area
43.09
Rotatable Bonds
1
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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