Molecule

ID:7620

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChIKey
XEHPMVZYZDQLDN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)O)F
Isomeric Smiles
c1(ccc(c(c1)O)F)C
Calculated Properties
JChem
Acid pKa
8.55036
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.3254201
LogD (pH = 7.4)
2.2963464
Log P
2.3258038
Molar Refractivity
33.2965
Polarizability
12.374452
Polar Surface Area
20.23
Rotatable Bonds
0
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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