Molecule

ID:95083

General Information
Structure
MolImage
Molecular Formula
C₉H₉F₂NO₂
Molecular Mass
201.1700664
Exact Mass
201.06013497
Charge
0
InChI
InChI=1S/C9H9F2NO2/c10-6-2-1-5(3-7(6)11)4-8(12)9(13)14/h1-3,8H,4,12H2,(H,13,14)
InChIKey
PRAWYXDDKCVZTL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(Cc1ccc(c(c1)F)F)N
Isomeric Smiles
NC(Cc1ccc(c(c1)F)F)C(=O)O
Calculated Properties
JChem
Acid pKa
1.4034245
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.89957255
LogD (pH = 7.4)
-0.9033958
Log P
-0.8996012
Molar Refractivity
45.5491
Polarizability
17.397753
Polar Surface Area
63.32
Rotatable Bonds
3
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