Molecule

ID:59655

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₁F₃N₂O₅
Molecular Mass
342.3114496
Exact Mass
342.14025644
Charge
0
InChI
InChI=1S/C13H21F3N2O5/c1-12(2,3)23-11(22)18-8(9(19)20)6-4-5-7-17-10(21)13(14,15)16/h8H,4-7H2,1-3H3,(H,17,21)(H,18,22)(H,19,20)/t8-/m0/s1
InChIKey
DEIYNDIFGSDDCY-QMMMGPOBSA-N
Canonic Smiles
O=C(OC(C)(C)C)N[C@H](C(=O)O)CCCCNC(=O)C(F)(F)F
Isomeric Smiles
C(C(=O)NCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)O)(F)(F)F
Calculated Properties
JChem
Acid pKa
4.0460973
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.217896
LogD (pH = 7.4)
-2.1124084
Log P
1.7326607
Molar Refractivity
73.1365
Polarizability
28.003162
Polar Surface Area
104.73
Rotatable Bonds
10
Lipinski's Rule of Five
true
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