Molecule

ID:17660

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3
InChIKey
KXYBYRKRRGSZCX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cccc2)C
Isomeric Smiles
c12c(n(cc1C=O)C)cccc2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.008186
LogD (pH = 7.4)
2.008186
Log P
2.008186
Molar Refractivity
48.6252
Polarizability
19.236515
Polar Surface Area
22.0
Rotatable Bonds
1
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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