Molecule

ID:41906

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃NO₂
Molecular Mass
233.1871096
Exact Mass
233.06636323
Charge
0
InChI
InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-2-6(4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)
InChIKey
WZXBASRNQXYUIP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1cccc(c1)C(F)(F)F)N
Isomeric Smiles
c1(cccc(c1)C(CC(=O)O)N)C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.4348354
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.5139899
LogD (pH = 7.4)
-0.5127802
Log P
-0.5117189
Molar Refractivity
50.9593
Polarizability
19.132318
Polar Surface Area
63.32
Rotatable Bonds
4
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