Molecule

ID:101140

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉NO
Molecular Mass
171.19526
Exact Mass
171.06841391
Charge
0
InChI
InChI=1S/C11H9NO/c13-9-10-3-5-11(6-4-10)12-7-1-2-8-12/h1-9H
InChIKey
VMNADOXDGZJTBJ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)n1cccc1
Isomeric Smiles
n1(c2ccc(C=O)cc2)cccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2373
LogD (pH = 7.4)
2.2373
Log P
2.2373
Molar Refractivity
62.3944
Polarizability
20.234282
Polar Surface Area
22.0
Rotatable Bonds
2
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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