Molecule
ID:98157
General Information
Molecular Formula
C₁₀H₇F₁₃O₂
Molecular Mass
406.1406216
Exact Mass
406.02384632
Charge
0
InChI
InChI=1S/C10H7F13O2/c1-25-4(24)2-3-5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h2-3H2,1H3
InChIKey
RJTDDBAPCSPXHO-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(C(F)(C(F)(F)C(F)(C(F)(F)C(F)(F)CCC(=O)OC)F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5506845
LogD (pH = 7.4)
4.5506845
Log P
4.5506845
Molar Refractivity
51.1776
Polarizability
19.747112
Polar Surface Area
26.3
Rotatable Bonds
9
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...