Molecule

ID:7982

General Information
Structure
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2
InChIKey
GEZMEIHVFSWOCA-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)CO)F
Calculated Properties
JChem
Acid pKa
14.962077
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.348598
LogD (pH = 7.4)
1.348598
Log P
1.348598
Molar Refractivity
33.0903
Polarizability
12.456715
Polar Surface Area
20.23
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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