Molecule

ID:99788

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀ClF₂N₅
Molecular Mass
249.6483064
Exact Mass
249.05927947
Charge
0
InChI
InChI=1S/C8H9F2N5.ClH/c9-4-1-5(10)3-6(2-4)14-8(13)15-7(11)12;/h1-3H,(H6,11,12,13,14,15);1H
InChIKey
SAOVSHFMPMBZML-UHFFFAOYSA-N
Canonic Smiles
N=C(Nc1cc(F)cc(c1)F)NC(=N)N.Cl
Isomeric Smiles
N(c1cc(cc(c1)F)F)C(=N)NC(=N)N.Cl
Calculated Properties
JChem
H Acceptors
5
H Donor
5
LogD (pH = 5.5)
-3.248273
LogD (pH = 7.4)
-1.4624197
Log P
1.011467
Molar Refractivity
73.3392
Polarizability
18.397917
Polar Surface Area
97.78
Rotatable Bonds
1
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