Molecule

ID:55846

General Information
Structure
Molecular Formula
C₁₀H₂₀Cl₂N₄
Molecular Mass
267.1986
Exact Mass
266.10650202
Charge
0
InChI
InChI=1S/C10H18N4.2ClH/c1-2-6-14-8-12-13-10(14)9-4-3-5-11-7-9;;/h8-9,11H,2-7H2,1H3;2*1H
InChIKey
LLXCFJAJZUHGMO-UHFFFAOYSA-N
Canonic Smiles
CCCn1cnnc1C1CCCNC1.Cl.Cl
Isomeric Smiles
C1CNCC(C1)c1n(cnn1)CCC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8048894
LogD (pH = 7.4)
-1.7758287
Log P
0.37988064
Molar Refractivity
58.1166
Polarizability
21.632235
Polar Surface Area
42.74
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