Molecule

ID:98268

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅F₆NO₄
Molecular Mass
339.2315192
Exact Mass
339.09052729
Charge
0
InChI
InChI=1S/C11H15F6NO4/c1-9(2,3)22-8(21)18-5(7(19)20)4-6(10(12,13)14)11(15,16)17/h5-6H,4H2,1-3H3,(H,18,21)(H,19,20)/t5-/m0/s1
InChIKey
HFAWVIMMJIVSGE-YFKPBYRVSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)CC(C(F)(F)F)C(F)(F)F
Isomeric Smiles
N([C@H](C(=O)O)CC(C(F)(F)F)C(F)(F)F)C(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
3.2976344
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.43883055
LogD (pH = 7.4)
-0.84795403
Log P
2.6265173
Molar Refractivity
60.8343
Polarizability
22.964691
Polar Surface Area
75.63
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
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