Molecule

ID:121668

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClN₃O
Molecular Mass
223.6589
Exact Mass
223.05123964
Charge
0
InChI
InChI=1S/C10H10ClN3O/c11-8-4-2-1-3-7(8)10-13-9(5-6-12)15-14-10/h1-4H,5-6,12H2
InChIKey
CXAAHQWGWLGHOP-UHFFFAOYSA-N
Canonic Smiles
NCCc1onc(n1)c1ccccc1Cl
Isomeric Smiles
c1(nc(on1)CCN)c1c(Cl)cccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.88103426
LogD (pH = 7.4)
0.438282
Log P
2.2024546
Molar Refractivity
69.3898
Polarizability
22.740719
Polar Surface Area
64.94
Rotatable Bonds
3
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