Molecule

ID:55291

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈Cl₂N₂O
Molecular Mass
253.16872
Exact Mass
252.07961857
Charge
0
InChI
InChI=1S/C10H16N2O.2ClH/c1-7-5-12-9(6-11-3)8(2)10(7)13-4;;/h5,11H,6H2,1-4H3;2*1H
InChIKey
FRGURPFPURLDNK-UHFFFAOYSA-N
Canonic Smiles
CNCc1ncc(c(c1C)OC)C.Cl.Cl
Isomeric Smiles
c1(cnc(c(c1OC)C)CNC)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.4294438
LogD (pH = 7.4)
0.21727328
Log P
1.2645656
Molar Refractivity
53.1725
Polarizability
20.683205
Polar Surface Area
34.15
Rotatable Bonds
3
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