Molecule

ID:98337

General Information
Structure
MolImage
Molecular Formula
C₈H₇F₂NO₂
Molecular Mass
187.1434864
Exact Mass
187.04448491
Charge
0
InChI
InChI=1S/C8H7F2NO2/c9-4-1-2-5(6(10)3-4)7(11)8(12)13/h1-3,7H,11H2,(H,12,13)
InChIKey
COIWYFIMAXMSKX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(c1ccc(cc1F)F)N
Isomeric Smiles
Fc1c(ccc(c1)F)C(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.1012744
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.1883994
LogD (pH = 7.4)
-1.23115
Log P
-1.1880362
Molar Refractivity
40.7941
Polarizability
15.593459
Polar Surface Area
63.32
Rotatable Bonds
2
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