Molecule

ID:26818

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₃Cl₂N₃
Molecular Mass
270.15772
Exact Mass
269.04865279
Charge
0
InChI
InChI=1S/C12H13Cl2N3/c1-7-12(15)8(2)17(16-7)6-9-3-4-10(13)5-11(9)14/h3-5H,6,15H2,1-2H3
InChIKey
RTOMSIDYLGGAIA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)Cn1nc(c(c1C)N)C
Isomeric Smiles
n1(nc(c(c1C)N)C)Cc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.8347583
LogD (pH = 7.4)
2.8356624
Log P
2.8356738
Molar Refractivity
83.6252
Polarizability
26.91563
Polar Surface Area
43.84
Rotatable Bonds
2
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