Molecule

ID:55375

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂Cl₂N₂O₂
Molecular Mass
239.09908
Exact Mass
238.02758299
Charge
0
InChI
InChI=1S/C8H10N2O2.2ClH/c9-5-1-2-6-8(7(5)10)12-4-3-11-6;;/h1-2H,3-4,9-10H2;2*1H
InChIKey
FHMMWSNRPLHJKK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1N)OCCO2.Cl.Cl
Isomeric Smiles
c1c2c(c(c(c1)N)N)OCCO2.Cl.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.21430784
LogD (pH = 7.4)
-0.17204027
Log P
-0.17147356
Molar Refractivity
46.4162
Polarizability
16.937593
Polar Surface Area
70.5
Rotatable Bonds
0
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