Molecule

ID:11949

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO₂
Molecular Mass
142.1276832
Exact Mass
142.04300768
Charge
0
InChI
InChI=1S/C7H7FO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
InChIKey
YZNHPLVFLRSVHY-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1O)F
Isomeric Smiles
c1ccc(c(c1OC)O)F
Calculated Properties
JChem
Acid pKa
9.062662
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6545932
LogD (pH = 7.4)
1.6454464
Log P
1.6547111
Molar Refractivity
34.7185
Polarizability
13.177085
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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