Molecule

ID:96681

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆Cl₂F₃N₃
Molecular Mass
308.0866496
Exact Mass
306.98908723
Charge
0
InChI
InChI=1S/C11H6Cl2F3N3/c1-5-8(12)9(13)19-10(18-5)7-3-2-6(4-17-7)11(14,15)16/h2-4H,1H3
InChIKey
XPSRRALZUQMMEL-UHFFFAOYSA-N
Canonic Smiles
Cc1nc(nc(c1Cl)Cl)c1ccc(cn1)C(F)(F)F
Isomeric Smiles
n1c(nc(c(c1Cl)Cl)C)c1ncc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.0522294
LogD (pH = 7.4)
4.052236
Log P
4.052236
Molar Refractivity
76.8406
Polarizability
24.858263
Polar Surface Area
38.67
Rotatable Bonds
2
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