Molecule

ID:99862

General Information
Structure
Molecular Formula
C₉H₃Cl₂F₃N₂O
Molecular Mass
283.0341296
Exact Mass
281.95745275
Charge
0
InChI
InChI=1S/C9H3Cl2F3N2O/c10-3-1-5-6(2-4(3)11)16-8(17)7(15-5)9(12,13)14/h1-2H,(H,16,17)
InChIKey
LKTKENZRCHBOSF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc2[nH]c(=O)c(nc2cc1Cl)C(F)(F)F
Isomeric Smiles
n1c(c(=O)[nH]c2cc(c(cc12)Cl)Cl)C(F)(F)F
Calculated Properties
JChem
Acid pKa
10.8492565
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5693715
LogD (pH = 7.4)
3.5692265
Log P
3.5693734
Molar Refractivity
59.5744
Polarizability
20.556202
Polar Surface Area
41.46
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