Molecule

ID:124315

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₅O₂
Molecular Mass
233.22664
Exact Mass
233.09127462
Charge
0
InChI
InChI=1S/C10H11N5O2/c1-2-17-9(16)5-8-13-10(15-14-8)7-6-11-3-4-12-7/h3-4,6H,2,5H2,1H3,(H,13,14,15)
InChIKey
XHVPPOYMAZYQBU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1nc(n[nH]1)c1cnccn1
Isomeric Smiles
c1(nc([nH]n1)CC(=O)OCC)c1nccnc1
Calculated Properties
JChem
Acid pKa
7.3587747
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.3828153
LogD (pH = 7.4)
0.0797106
Log P
0.38861737
Molar Refractivity
69.9473
Polarizability
22.936396
Polar Surface Area
93.65
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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