Molecule

ID:34418

General Information
Structure
MolImage
Molecular Formula
C₈H₉N₅O₂
Molecular Mass
207.18936
Exact Mass
207.07562455
Charge
0
InChI
InChI=1S/C8H9N5O2/c1-2-15-7(14)5-3-10-8-11-4-12-13(8)6(5)9/h3-4H,2,9H2,1H3
InChIKey
WXSXMQHHGMMINY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2n(c1N)ncn2
Isomeric Smiles
n12c(c(cnc1ncn2)C(=O)OCC)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.48320195
LogD (pH = 7.4)
0.48320255
Log P
0.48320258
Molar Refractivity
64.3325
Polarizability
19.048994
Polar Surface Area
95.4
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