Molecule

ID:34515

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N₃O
Molecular Mass
153.18174
Exact Mass
153.09021199
Charge
0
InChI
InChI=1S/C7H11N3O/c1-8-4-6-9-7(10-11-6)5-2-3-5/h5,8H,2-4H2,1H3
InChIKey
UXYMIZJTYJBFGD-UHFFFAOYSA-N
Canonic Smiles
CNCc1onc(n1)C1CC1
Isomeric Smiles
o1nc(nc1CNC)C1CC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.87397236
LogD (pH = 7.4)
0.5411554
Log P
0.7112445
Molar Refractivity
41.2727
Polarizability
15.3942585
Polar Surface Area
50.95
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