Molecule

ID:71981

General Information
Structure
Molecular Formula
C₉H₁₁ClFN₃
Molecular Mass
215.6551432
Exact Mass
215.06255327
Charge
0
InChI
InChI=1S/C9H11ClFN3/c10-9-12-5-7(11)8(14-9)13-6-3-1-2-4-6/h5-6H,1-4H2,(H,12,13,14)
InChIKey
HZWNTIIEAVMVKW-UHFFFAOYSA-N
Canonic Smiles
Fc1cnc(nc1NC1CCCC1)Cl
Isomeric Smiles
c1nc(nc(c1F)NC1CCCC1)Cl
Calculated Properties
JChem
Acid pKa
15.580865
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.5229127
LogD (pH = 7.4)
2.5229251
Log P
2.5229254
Molar Refractivity
55.3578
Polarizability
19.917734
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