Molecule

ID:99891

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c9-6-8(10)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
YOMBUJAFGMOIGS-UHFFFAOYSA-N
Canonic Smiles
FCC(=O)c1ccccc1
Isomeric Smiles
O=C(c1ccccc1)CF
Calculated Properties
JChem
Acid pKa
17.886246
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.604737
LogD (pH = 7.4)
1.604737
Log P
1.604737
Molar Refractivity
36.4709
Polarizability
13.758624
Polar Surface Area
17.07
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