Molecule

ID:124662

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅Cl₂N₃
Molecular Mass
318.2851
Exact Mass
317.14255318
Charge
0
InChI
InChI=1S/C15H23N3.2ClH/c1-12(2)18-14-9-6-5-8-13(14)17-15(18)10-4-3-7-11-16;;/h5-6,8-9,12H,3-4,7,10-11,16H2,1-2H3;2*1H
InChIKey
WRTPKNQLJNLIQZ-UHFFFAOYSA-N
Canonic Smiles
NCCCCCc1nc2c(n1C(C)C)cccc2.Cl.Cl
Isomeric Smiles
c1(n(c2c(n1)cccc2)C(C)C)CCCCCN.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.7232559
LogD (pH = 7.4)
0.24987625
Log P
2.870309
Molar Refractivity
75.4894
Polarizability
30.822512
Polar Surface Area
43.84
Rotatable Bonds
6
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