Molecule

ID:21259

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₉F₂NO₅
Molecular Mass
343.3225664
Exact Mass
343.12312915
Charge
0
InChI
InChI=1S/C16H19F2NO5/c1-16(2,3)24-15(22)19-8-10(7-12(19)14(20)21)23-13-5-4-9(17)6-11(13)18/h4-6,10,12H,7-8H2,1-3H3,(H,20,21)/t10-,12-/m0/s1
InChIKey
GQLWXUWVIWOGMA-JQWIXIFHSA-N
Canonic Smiles
Fc1ccc(c(c1)F)O[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Isomeric Smiles
N1(C(=O)OC(C)(C)C)[C@H](C(=O)O)C[C@@H](C1)Oc1c(cc(cc1)F)F
Calculated Properties
JChem
Acid pKa
3.5579112
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.7219743
LogD (pH = 7.4)
-0.69935876
Log P
2.6579096
Molar Refractivity
79.07
Polarizability
30.71049
Polar Surface Area
76.07
Rotatable Bonds
5
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