Molecule

ID:54822

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₄Cl₂N₂O₂
Molecular Mass
323.25856
Exact Mass
322.12148338
Charge
0
InChI
InChI=1S/C14H22N2O2.2ClH/c1-18-14-5-3-2-4-12(14)11-16-8-7-15-10-13(16)6-9-17;;/h2-5,13,15,17H,6-11H2,1H3;2*1H
InChIKey
GWPCYGCYVSXUMH-UHFFFAOYSA-N
Canonic Smiles
OCCC1CNCCN1Cc1ccccc1OC.Cl.Cl
Isomeric Smiles
C1CN(C(CN1)CCO)Cc1ccccc1OC.Cl.Cl
Calculated Properties
JChem
Acid pKa
15.921757
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.4811168
LogD (pH = 7.4)
-1.0375975
Log P
0.6506677
Molar Refractivity
72.6472
Polarizability
28.678421
Polar Surface Area
44.73
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