Molecule

ID:15872

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀FNO₂
Molecular Mass
183.1796032
Exact Mass
183.06955679
Charge
0
InChI
InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)8(11)5-9(12)13/h1-4,8H,5,11H2,(H,12,13)
InChIKey
RSCLTSJQAQBNCE-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC(c1ccccc1F)N
Isomeric Smiles
C(C(c1c(F)cccc1)N)C(=O)O
Calculated Properties
JChem
Acid pKa
3.428091
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2490191
LogD (pH = 7.4)
-1.2501855
Log P
-1.2470584
Molar Refractivity
45.202
Polarizability
17.599558
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