Molecule

ID:62832

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)11-10(13-7-8-14-11)9-3-5-12-6-4-9;;/h7-9,12H,3-6H2,1-2H3;2*1H
InChIKey
AGPYEGQNUWGGNH-UHFFFAOYSA-N
Canonic Smiles
CN(c1nccnc1C1CCNCC1)C.Cl.Cl
Isomeric Smiles
c1(c(nccn1)C1CCNCC1)N(C)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.740042
LogD (pH = 7.4)
-1.9869219
Log P
0.4753504
Molar Refractivity
61.5094
Polarizability
23.28429
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