Molecule

ID:10079

General Information
Structure
MolImage
Molecular Formula
C₇H₇ClF₃N₃
Molecular Mass
225.5987896
Exact Mass
225.02805958
Charge
0
InChI
InChI=1S/C7H6F3N3.ClH/c8-7(9,10)5-2-1-4(3-13-5)6(11)12;/h1-3H,(H3,11,12);1H
InChIKey
HUKUESHULWUKHP-UHFFFAOYSA-N
Canonic Smiles
NC(=N)c1ccc(nc1)C(F)(F)F.Cl
Isomeric Smiles
c1c(ncc(c1)C(=N)N)C(F)(F)F.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.4722309
LogD (pH = 7.4)
-1.2611829
Log P
0.93974066
Molar Refractivity
51.1753
Polarizability
14.43524
Polar Surface Area
62.76
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