Molecule

ID:98264

General Information
Structure
MolImage
Molecular Formula
C₆H₈ClF₆NO₂
Molecular Mass
275.5766392
Exact Mass
275.0147755
Charge
0
InChI
InChI=1S/C6H7F6NO2.ClH/c7-5(8,9)3(6(10,11)12)1-2(13)4(14)15;/h2-3H,1,13H2,(H,14,15);1H/t2-;/m1./s1
InChIKey
QPUTYNRQCLMYHP-HSHFZTNMSA-N
Canonic Smiles
OC(=O)[C@@H](CC(C(F)(F)F)C(F)(F)F)N.Cl
Isomeric Smiles
N[C@H](CC(C(F)(F)F)C(F)(F)F)C(=O)O.Cl
Calculated Properties
JChem
Acid pKa
0.9440886
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2771099
LogD (pH = 7.4)
-1.2802259
Log P
-1.2771035
Molar Refractivity
35.9613
Polarizability
13.600516
Polar Surface Area
63.32
Rotatable Bonds
5
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