Molecule

ID:21335

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄F₃NO₃
Molecular Mass
289.2503696
Exact Mass
289.09257797
Charge
0
InChI
InChI=1S/C13H14F3NO3/c1-19-12(18)11-6-10(7-17-11)20-9-4-2-8(3-5-9)13(14,15)16/h2-5,10-11,17H,6-7H2,1H3/t10-,11-/m0/s1
InChIKey
GXXYZBVJPVRHHP-QWRGUYRKSA-N
Canonic Smiles
COC(=O)[C@H]1NC[C@H](C1)Oc1ccc(cc1)C(F)(F)F
Isomeric Smiles
C(c1ccc(O[C@H]2C[C@H](NC2)C(=O)OC)cc1)(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.0448872
LogD (pH = 7.4)
2.0578606
Log P
2.1130552
Molar Refractivity
64.3849
Polarizability
24.837679
Polar Surface Area
47.56
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