Molecule

ID:9020

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₁₃O
Molecular Mass
376.1146416
Exact Mass
376.01328164
Charge
0
InChI
InChI=1S/C9H5F13O/c10-4(11,2-1-3-23)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2,23H,3H2/b2-1+
InChIKey
ATYZUVRSTXBJLR-OWOJBTEDSA-N
Canonic Smiles
OC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(/C=C/CO)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
15.609708
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.4669485
LogD (pH = 7.4)
4.4669485
Log P
4.4669485
Molar Refractivity
47.37
Polarizability
17.507706
Polar Surface Area
20.23
Rotatable Bonds
7
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