Molecule

ID:65901

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-11-7-6-8-4-2-3-5-9(8)10(11)12/h2-7H,1H3
InChIKey
YJRMHIKEMDTYDR-UHFFFAOYSA-N
Canonic Smiles
Cn1ccc2c(c1=O)cccc2
Isomeric Smiles
c1ccc2c(c1)c(=O)n(cc2)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5479058
LogD (pH = 7.4)
1.5479058
Log P
1.5479058
Molar Refractivity
48.3325
Polarizability
17.78527
Polar Surface Area
20.31
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
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References
Bioactivity
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