Molecule

ID:8754

General Information
Structure
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Molecular Formula
C₇H₇FO
Molecular Mass
126.1282832
Exact Mass
126.04809306
Charge
0
InChI
InChI=1S/C7H7FO/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
JIXDOBAQOWOUPA-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1F
Isomeric Smiles
c1ccc(c(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
12.516886
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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