Molecule
ID:101626
General Information
Molecular Formula
C₁₄H₉N₃O₂
Molecular Mass
251.24016
Exact Mass
251.06947654
Charge
0
InChI
InChI=1S/C14H9N3O2/c15-8-10-1-4-12(5-2-10)18-9-11-3-6-13-14(7-11)17-19-16-13/h1-7H,9H2
InChIKey
JKBOZGOAPGJOBS-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)OCc1ccc2c(c1)non2
Isomeric Smiles
c12c(non1)ccc(c2)COc1ccc(C#N)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.7461665
LogD (pH = 7.4)
2.7461665
Log P
2.7461665
Molar Refractivity
68.9322
Polarizability
26.904373
Polar Surface Area
71.94
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Loading...
Bioactivity
Loading...