Molecule

ID:65490

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c1-6-5-8(10)3-4-9(6)7(2)11/h3-5H,1-2H3
InChIKey
GCTZPACJEUDZAX-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C)C(=O)C
Isomeric Smiles
C(=O)(C)c1c(cc(cc1)F)C
Calculated Properties
JChem
Acid pKa
16.255638
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1870167
LogD (pH = 7.4)
2.1870167
Log P
2.1870167
Molar Refractivity
41.7184
Polarizability
15.491001
Polar Surface Area
17.07
Rotatable Bonds
1
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