Molecule

ID:93088

General Information
Structure
MolImage
Molecular Formula
C₁₆H₅F₃₀N
Molecular Mass
781.169696
Exact Mass
780.99429577
Charge
0
InChI
InChI=1S/C16H5F30N/c17-3(18,5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)43)1-47-2-4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(44,45)46/h47H,1-2H2
InChIKey
FTLIVFJKISSELN-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CNCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
Isomeric Smiles
FC(C(F)(F)C(C(F)(F)C(C(C(CNCC(C(C(F)(F)C(C(F)(C(F)(F)C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
10.119789
LogD (pH = 7.4)
10.12496
Log P
10.125027
Molar Refractivity
81.6096
Polarizability
32.23771
Polar Surface Area
12.03
Rotatable Bonds
16
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