Molecule

ID:93173

General Information
Structure
MolImage
Molecular Formula
C₈H₉FO
Molecular Mass
140.1548632
Exact Mass
140.06374313
Charge
0
InChI
InChI=1S/C8H9FO/c1-6-2-3-8(9)4-7(6)5-10/h2-4,10H,5H2,1H3
InChIKey
WEXCPHVQJFWNFM-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)ccc1C
Isomeric Smiles
OCc1c(ccc(c1)F)C
Calculated Properties
JChem
Acid pKa
14.863029
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8620194
LogD (pH = 7.4)
1.8620193
Log P
1.8620194
Molar Refractivity
38.1315
Polarizability
14.214139
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
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References
Bioactivity
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