Molecule

ID:53229

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O
Molecular Mass
189.21384
Exact Mass
189.09021199
Charge
0
InChI
InChI=1S/C10H11N3O/c11-7-10-13-12-9(14-10)6-8-4-2-1-3-5-8/h1-5H,6-7,11H2
InChIKey
PDBPEHJDTFADTJ-UHFFFAOYSA-N
Canonic Smiles
NCc1nnc(o1)Cc1ccccc1
Isomeric Smiles
c1cccc(c1)Cc1nnc(o1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.5566031
LogD (pH = 7.4)
-0.092544526
Log P
0.111024976
Molar Refractivity
53.9466
Polarizability
20.155603
Polar Surface Area
64.94
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