Molecule

ID:99760

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄F₃NO₄
Molecular Mass
305.2497696
Exact Mass
305.08749259
Charge
0
InChI
InChI=1S/C13H14F3NO4/c1-12(2,3)21-11(19)17-10-5-4-9(6-8(10)7-18)20-13(14,15)16/h4-7H,1-3H3,(H,17,19)
InChIKey
WMUUAEMQZAOMHO-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(ccc1NC(=O)OC(C)(C)C)OC(F)(F)F
Isomeric Smiles
O=Cc1c(ccc(c1)OC(F)(F)F)NC(=O)OC(C)(C)C
Calculated Properties
JChem
Acid pKa
12.471186
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
4.027821
LogD (pH = 7.4)
4.0278172
Log P
4.027821
Molar Refractivity
66.0045
Polarizability
25.353638
Polar Surface Area
64.63
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