Molecule

ID:21368

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄F₃NO₄
Molecular Mass
305.2497696
Exact Mass
305.08749259
Charge
0
InChI
InChI=1S/C13H14F3NO4/c1-19-12(18)11-6-10(7-17-11)20-8-2-4-9(5-3-8)21-13(14,15)16/h2-5,10-11,17H,6-7H2,1H3/t10-,11-/m0/s1
InChIKey
RVUHHAJQRVEKRP-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)OC(F)(F)F
Isomeric Smiles
C(Oc1ccc(O[C@H]2C[C@H](NC2)C(=O)OC)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.5901941
LogD (pH = 7.4)
2.6100705
Log P
2.6663182
Molar Refractivity
61.4815
Polarizability
25.617754
Polar Surface Area
56.79
Rotatable Bonds
6
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