Molecule

ID:62377

General Information
Structure
Molecular Formula
C₁₀H₁₇ClN₄O
Molecular Mass
244.72118
Exact Mass
244.10908886
Charge
0
InChI
InChI=1S/C10H16N4O.ClH/c11-8-5-12-14(6-8)7-10(15)13-9-3-1-2-4-9;/h5-6,9H,1-4,7,11H2,(H,13,15);1H
InChIKey
JJCSZEOVJMDYCW-UHFFFAOYSA-N
Canonic Smiles
O=C(Cn1ncc(c1)N)NC1CCCC1.Cl
Isomeric Smiles
n1(ncc(c1)N)CC(=O)NC1CCCC1.Cl
Calculated Properties
JChem
Acid pKa
15.162045
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.17843398
LogD (pH = 7.4)
-0.17840187
Log P
-0.17840146
Molar Refractivity
68.8785
Polarizability
21.665201
Polar Surface Area
72.94
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