Molecule

ID:9479

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃F₃₅O₂
Molecular Mass
928.170032
Exact Mass
927.95741704
Charge
0
InChI
InChI=1S/C19H3F35O2/c1-56-2(55)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)54/h1H3
InChIKey
YUFOZPVITJRTPY-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
12.265161
LogD (pH = 7.4)
12.265161
Log P
12.265161
Molar Refractivity
93.111
Polarizability
37.603977
Polar Surface Area
26.3
Rotatable Bonds
18
Lipinski's Rule of Five
false
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