Molecule

ID:71983

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃ClFN₃
Molecular Mass
229.6817232
Exact Mass
229.07820333
Charge
0
InChI
InChI=1S/C10H13ClFN3/c11-10-13-6-8(12)9(15-10)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H,13,14,15)
InChIKey
GFWGJIJIONAZTJ-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1NC1CCCCC1)Cl
Isomeric Smiles
c1nc(nc(c1F)NC1CCCCC1)Cl
Calculated Properties
JChem
Acid pKa
15.580866
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.9674814
LogD (pH = 7.4)
2.9674938
Log P
2.967494
Molar Refractivity
59.9588
Polarizability
21.738968
Polar Surface Area
37.81
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