Molecule

ID:90834

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c1-7-9(6-11)13-10(14-7)8-2-4-12-5-3-8/h2-5H,6,11H2,1H3
InChIKey
UQCRUMHPDSDVHX-UHFFFAOYSA-N
Canonic Smiles
NCc1nc(oc1C)c1ccncc1
Isomeric Smiles
n1c(c2ccncc2)oc(c1CN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.3532357
LogD (pH = 7.4)
-0.6667891
Log P
0.12903666
Molar Refractivity
62.813
Polarizability
20.815878
Polar Surface Area
64.94
Rotatable Bonds
2
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