Molecule

ID:93374

General Information
Structure
MolImage
Molecular Formula
C₂₀HF₃₅N₂O
Molecular Mass
950.178852
Exact Mass
949.95300036
Charge
0
InChI
InChI=1S/C20HF35N2O/c21-5(22,8(27,28)11(33,34)13(37,38)16(43,44)19(50,51)52)2-1-3(57(56-2)4(58)7(25,26)10(31,32)15(41,42)18(47,48)49)6(23,24)9(29,30)12(35,36)14(39,40)17(45,46)20(53,54)55/h1H
InChIKey
RZZCMOKELUIWLJ-UHFFFAOYSA-N
Canonic Smiles
O=C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)n1nc(cc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
n1(C(=O)C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)c(cc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
11.899471
LogD (pH = 7.4)
11.899471
Log P
11.899471
Molar Refractivity
102.1628
Polarizability
39.36738
Polar Surface Area
34.89
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