Molecule

ID:7204

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₂
Molecular Mass
142.1276832
Exact Mass
142.04300768
Charge
0
InChI
InChI=1S/C7H7FO2/c1-10-7-4-5(8)2-3-6(7)9/h2-4,9H,1H3
InChIKey
OULGLTLTWBZBLO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(F)ccc1O
Isomeric Smiles
c1c(cc(c(c1)O)OC)F
Calculated Properties
JChem
Acid pKa
9.678414
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6546825
LogD (pH = 7.4)
1.6524445
Log P
1.6547111
Molar Refractivity
34.7185
Polarizability
13.176679
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
References
Bioactivity
Navigation