Molecule

ID:8756

General Information
Structure
MolImage
Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-9-7-4-2-3-6(8)5-7/h2-5H,1H3
InChIKey
MFJNOXOAIFNSBX-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)F
Isomeric Smiles
c1cc(cc(c1)OC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9582765
LogD (pH = 7.4)
1.9582765
Log P
1.9582765
Molar Refractivity
32.7376
Polarizability
12.516549
Polar Surface Area
9.23
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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