Molecule

ID:35293

General Information
Structure
Molecular Formula
C₁₆H₁₄N₂O₂
Molecular Mass
266.29456
Exact Mass
266.1055277
Charge
0
InChI
InChI=1S/C16H14N2O2/c1-11-7-8-18-13(10-19)16(17-15(18)9-11)12-5-3-4-6-14(12)20-2/h3-10H,1-2H3
InChIKey
VRLURXVKVKTHCX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1ccc(c2)C)c1ccccc1OC
Isomeric Smiles
c1(nc2n(c1C=O)ccc(c2)C)c1c(OC)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7652779
LogD (pH = 7.4)
2.7806785
Log P
2.7808788
Molar Refractivity
78.6665
Polarizability
30.442358
Polar Surface Area
43.6
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
No Data Available
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Molecule Details
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References
Bioactivity
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