Molecule

ID:43491

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₃O₂
Molecular Mass
207.22912
Exact Mass
207.10077667
Charge
0
InChI
InChI=1S/C10H13N3O2/c1-13-4-5-15-9-3-2-7(6-8(9)13)10(14)12-11/h2-3,6H,4-5,11H2,1H3,(H,12,14)
InChIKey
XGPUDEQIBOZZBC-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc2c(c1)N(C)CCO2
Isomeric Smiles
c12N(CCOc2ccc(c1)C(=O)NN)C
Calculated Properties
JChem
Acid pKa
14.605405
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.30529374
LogD (pH = 7.4)
0.3062459
Log P
0.30625805
Molar Refractivity
58.5433
Polarizability
21.22024
Polar Surface Area
67.59
Rotatable Bonds
1
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