Molecule

ID:66603

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₆Cl₃N₃
Molecular Mass
306.70324
Exact Mass
305.11923089
Charge
0
InChI
InChI=1S/C11H23N3.3ClH/c1-11(3-5-12-6-4-11)14-9-7-13(2)8-10-14;;;/h12H,3-10H2,1-2H3;3*1H
InChIKey
CZXXPXBSIHHBRX-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C1(C)CCNCC1.Cl.Cl.Cl
Isomeric Smiles
N1(CCN(CC1)C1(CCNCC1)C)C.Cl.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.834367
LogD (pH = 7.4)
-3.5341465
Log P
-0.038376097
Molar Refractivity
60.8328
Polarizability
24.131968
Polar Surface Area
18.51
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