Molecule

ID:66529

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₂
Molecular Mass
214.22
Exact Mass
214.07422757
Charge
0
InChI
InChI=1S/C12H10N2O2/c1-16-11-4-2-3-10(5-11)12-13-6-9(8-15)7-14-12/h2-8H,1H3
InChIKey
HTUAVCQIBHEFHE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1ncc(cn1)C=O
Isomeric Smiles
c1(ncc(cn1)C=O)c1cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.9097394
LogD (pH = 7.4)
1.9097434
Log P
1.9097434
Molar Refractivity
71.1806
Polarizability
23.229218
Polar Surface Area
52.08
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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