Molecule

ID:116036

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c1-9-14-13(16-15-9)12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,1H3
InChIKey
CKLADIRZKHMDKL-UHFFFAOYSA-N
Canonic Smiles
Cc1noc(n1)c1cccc2c1cccc2
Isomeric Smiles
n1c(onc1C)c1c2c(ccc1)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.357849
LogD (pH = 7.4)
3.3578491
Log P
3.3578491
Molar Refractivity
72.8503
Polarizability
25.037136
Polar Surface Area
38.92
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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