Molecule

ID:95426

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂F₃N₂O
Molecular Mass
273.0393096
Exact Mass
271.97310281
Charge
0
InChI
InChI=1S/C8H5Cl2F3N2O/c9-2-6(16)15-7-5(10)1-4(3-14-7)8(11,12)13/h1,3H,2H2,(H,14,15,16)
InChIKey
RZONLVHKPUSMDC-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ncc(cc1Cl)C(F)(F)F
Isomeric Smiles
N(c1c(cc(cn1)C(F)(F)F)Cl)C(=O)CCl
Calculated Properties
JChem
Acid pKa
11.343897
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.606951
LogD (pH = 7.4)
2.606931
Log P
2.6069782
Molar Refractivity
54.6093
Polarizability
19.658415
Polar Surface Area
41.99
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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