Molecule

ID:18802

General Information
Structure
Molecular Formula
C₁₄H₂₈Cl₂N₂O₂
Molecular Mass
327.29032
Exact Mass
326.15278351
Charge
0
InChI
InChI=1S/C14H26N2O2.2ClH/c1-2-7-15-8-5-13(6-9-15)16-10-3-12(4-11-16)14(17)18;;/h12-13H,2-11H2,1H3,(H,17,18);2*1H
InChIKey
MZOOEKQDHHTYGE-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCC(CC1)N1CCC(CC1)C(=O)O.Cl.Cl
Isomeric Smiles
C1C(CCN(C1)C1CCN(CC1)CCC)C(=O)O.Cl.Cl
Calculated Properties
JChem
Acid pKa
4.0243945
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.7012448
LogD (pH = 7.4)
-2.0011961
Log P
-1.595146
Molar Refractivity
73.0937
Polarizability
28.620644
Polar Surface Area
43.78
Rotatable Bonds
4
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