Molecule

ID:101484

General Information
Structure
Molecular Formula
C₁₀H₉NO
Molecular Mass
159.18456
Exact Mass
159.06841391
Charge
0
InChI
InChI=1S/C10H9NO/c1-11-6-5-8-3-2-4-9(7-12)10(8)11/h2-7H,1H3
InChIKey
JOBIAZYEJOMXEP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc2c1n(C)cc2
Isomeric Smiles
n1(c2c(C=O)cccc2cc1)C
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
19.233353
Polar Surface Area
22.0
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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