Molecule

ID:62322

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆Cl₂N₄
Molecular Mass
251.15614
Exact Mass
250.07520189
Charge
0
InChI
InChI=1S/C9H14N4.2ClH/c10-9-12-6-4-8(13-9)7-3-1-2-5-11-7;;/h4,6-7,11H,1-3,5H2,(H2,10,12,13);2*1H
InChIKey
GUEROTXFKNRWLA-UHFFFAOYSA-N
Canonic Smiles
Nc1nccc(n1)C1CCCCN1.Cl.Cl
Isomeric Smiles
n1c(nccc1C1NCCCC1)N.Cl.Cl
Calculated Properties
JChem
Acid pKa
16.476044
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.065837
LogD (pH = 7.4)
-0.34881657
Log P
0.6017387
Molar Refractivity
51.9818
Polarizability
19.67878
Polar Surface Area
63.83
Rotatable Bonds
1
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