Molecule

ID:8312

General Information
Structure
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H3
InChIKey
PURLWQWDGIIYBG-UHFFFAOYSA-N
Canonic Smiles
CCOc1ccc(cc1)F
Isomeric Smiles
c1c(ccc(c1)OCC)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3150845
LogD (pH = 7.4)
2.3150845
Log P
2.3150845
Molar Refractivity
37.4862
Polarizability
14.348805
Polar Surface Area
9.23
Rotatable Bonds
2
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
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References
Bioactivity
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