Molecule

ID:15551

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃Cl₂FN₂O
Molecular Mass
243.1060232
Exact Mass
242.03889663
Charge
0
InChI
InChI=1S/C8H11FN2O.2ClH/c1-12-8-4-6(5-11-10)2-3-7(8)9;;/h2-4,11H,5,10H2,1H3;2*1H
InChIKey
OCVJRMPQZJVMKB-UHFFFAOYSA-N
Canonic Smiles
NNCc1ccc(c(c1)OC)F.Cl.Cl
Isomeric Smiles
c1(cc(ccc1F)CNN)OC.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7175248
LogD (pH = 7.4)
0.8965543
Log P
0.8993895
Molar Refractivity
56.1879
Polarizability
17.210503
Polar Surface Area
47.28
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
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation