Molecule

ID:31003

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆FNO₃
Molecular Mass
207.1579432
Exact Mass
207.03317128
Charge
0
InChI
InChI=1S/C10H6FNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5H,(H,13,14)
InChIKey
BNNODLZYXWQEES-UHFFFAOYSA-N
Canonic Smiles
Fc1ccccc1c1noc(c1)C(=O)O
Isomeric Smiles
c1(cc(no1)c1c(F)cccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9226642
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.44137892
LogD (pH = 7.4)
-1.391932
Log P
2.091153
Molar Refractivity
49.6143
Polarizability
19.334814
Polar Surface Area
63.33
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