Molecule

ID:37918

General Information
Structure
MolImage
Molecular Formula
C₉H₉N₃O₂
Molecular Mass
191.18666
Exact Mass
191.06947654
Charge
0
InChI
InChI=1S/C9H9N3O2/c1-2-14-9(13)7-6-11-12-5-3-4-10-8(7)12/h3-6H,2H2,1H3
InChIKey
JEMAMNBFHPIPCR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nccc2
Isomeric Smiles
c1(c2n(nc1)cccn2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0132552
LogD (pH = 7.4)
1.0132575
Log P
1.0132575
Molar Refractivity
60.5475
Polarizability
18.708942
Polar Surface Area
56.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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
Bioactivity
Navigation