Molecule
ID:7718
General Information
Molecular Formula
C₈H₄F₁₄O
Molecular Mass
382.0944048
Exact Mass
382.00385983
Charge
0
InChI
InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2
InChIKey
ISIIJJQHILZBPB-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(CO)(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.621079
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.151615
LogD (pH = 7.4)
4.1516123
Log P
4.151615
Molar Refractivity
40.8297
Polarizability
16.317743
Polar Surface Area
20.23
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...