Molecule

ID:103222

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKey
DCJKUXYSYJBBRD-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nnc(o1)c1ccccc1
Isomeric Smiles
o1c(nnc1c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.004226
LogD (pH = 7.4)
3.004226
Log P
3.004226
Molar Refractivity
87.1868
Polarizability
26.03306
Polar Surface Area
38.92
Rotatable Bonds
2
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
No Data Available
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Molecule Details
References
Bioactivity
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