Molecule

ID:48119

General Information
Structure
MolImage
Molecular Formula
C₁₄H₃₀Cl₂N₂O
Molecular Mass
313.3068
Exact Mass
312.17351895
Charge
0
InChI
InChI=1S/C14H28N2O.2ClH/c1-16(12-14-5-9-17-10-6-14)8-4-13-3-2-7-15-11-13;;/h13-15H,2-12H2,1H3;2*1H
InChIKey
RWZYQHRNHGOZNA-UHFFFAOYSA-N
Canonic Smiles
CN(CC1CCOCC1)CCC1CCCNC1.Cl.Cl
Isomeric Smiles
N1CC(CCN(CC2CCOCC2)C)CCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.562769
LogD (pH = 7.4)
-4.6912436
Log P
1.1608839
Molar Refractivity
72.857
Polarizability
28.812555
Polar Surface Area
24.5
Rotatable Bonds
5
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