Molecule

ID:129186

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂O
Molecular Mass
210.2313
Exact Mass
210.07931295
Charge
0
InChI
InChI=1S/C13H10N2O/c1-15-10-6-3-2-5-9(10)14-13-11(15)7-4-8-12(13)16/h2-8H,1H3
InChIKey
YNCMLFHHXWETLD-UHFFFAOYSA-N
Canonic Smiles
Cn1c2ccccc2nc2c1cccc2=O
Isomeric Smiles
Cn1c2ccccc2nc2c1cccc2=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4985068
LogD (pH = 7.4)
2.498515
Log P
2.498515
Molar Refractivity
68.0593
Polarizability
23.191843
Polar Surface Area
32.67
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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