Molecule

ID:39294

General Information
Structure
Molecular Formula
C₁₅H₂₀FNO₄
Molecular Mass
297.3220032
Exact Mass
297.13763635
Charge
0
InChI
InChI=1S/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
InChIKey
PUMMDCKRQRQFAD-LLVKDONJSA-N
Canonic Smiles
OC(=O)C[C@@H](Cc1ccccc1F)NC(=O)OC(C)(C)C
Isomeric Smiles
c1cccc(c1F)C[C@H](CC(=O)O)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
4.371129
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.6389548
LogD (pH = 7.4)
-0.1128516
Log P
2.7972379
Molar Refractivity
74.83
Polarizability
29.063885
Polar Surface Area
75.63
Rotatable Bonds
7
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