Molecule

ID:62958

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀Cl₂N₄
Molecular Mass
279.2093
Exact Mass
278.10650202
Charge
0
InChI
InChI=1S/C11H18N4.2ClH/c1-15(2)11-13-8-6-10(14-11)9-5-3-4-7-12-9;;/h6,8-9,12H,3-5,7H2,1-2H3;2*1H
InChIKey
OEJXVBSFMZFGCB-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccc(n1)C1CCCCN1)C.Cl.Cl
Isomeric Smiles
c1(nc(C2NCCCC2)ccn1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1222082
LogD (pH = 7.4)
0.59614736
Log P
1.5387084
Molar Refractivity
61.71
Polarizability
23.36157
Polar Surface Area
41.05
Rotatable Bonds
2
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