Molecule

ID:68920

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₂
Molecular Mass
142.1276832
Exact Mass
142.04300768
Charge
0
InChI
InChI=1S/C7H7FO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKey
PPJKLEQAFZWIQY-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1O)F
Isomeric Smiles
c1(c(ccc(c1)F)OC)O
Calculated Properties
JChem
Acid pKa
8.95989
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6545616
LogD (pH = 7.4)
1.6429961
Log P
1.6547111
Molar Refractivity
34.7185
Polarizability
13.176673
Polar Surface Area
29.46
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