Molecule

ID:92874

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey
UUCUQJHYUPXDHN-UHFFFAOYSA-N
Canonic Smiles
CC(=O)n1ccc2c1cccc2
Isomeric Smiles
n1(ccc2c1cccc2)C(=O)C
Calculated Properties
JChem
Acid pKa
19.99484
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.391817
LogD (pH = 7.4)
1.391817
Log P
1.391817
Molar Refractivity
46.4148
Polarizability
19.31712
Polar Surface Area
22.0
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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