Molecule

ID:35991

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈FNO₂
Molecular Mass
193.1744232
Exact Mass
193.05390672
Charge
0
InChI
InChI=1S/C10H8FNO2/c1-14-10(13)9-5-6-7(11)3-2-4-8(6)12-9/h2-5,12H,1H3
InChIKey
JXXLBPLHQYAPLH-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cc2c([nH]1)cccc2F
Isomeric Smiles
c1ccc2[nH]c(cc2c1F)C(=O)OC
Calculated Properties
JChem
Acid pKa
11.005853
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1381867
LogD (pH = 7.4)
2.1380935
Log P
2.138188
Molar Refractivity
49.2637
Polarizability
19.625853
Polar Surface Area
42.09
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