Molecule

ID:117891

General Information
Structure
MolImage
Molecular Formula
C₅H₉N₃O₂
Molecular Mass
143.14386
Exact Mass
143.06947654
Charge
0
InChI
InChI=1S/C5H9N3O2/c1-2-9-3-4-7-8-5(6)10-4/h2-3H2,1H3,(H2,6,8)
InChIKey
RSGPIXUMUDGKQV-UHFFFAOYSA-N
Canonic Smiles
CCOCc1nnc(o1)N
Isomeric Smiles
o1c(nnc1COCC)N
Calculated Properties
JChem
Acid pKa
11.509043
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.8842397
LogD (pH = 7.4)
-0.884271
Log P
-0.88423926
Molar Refractivity
36.8
Polarizability
12.91967
Polar Surface Area
74.17
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