Molecule

ID:53436

General Information
Structure
MolImage
Molecular Formula
C₉H₉FO
Molecular Mass
152.1655632
Exact Mass
152.06374313
Charge
0
InChI
InChI=1S/C9H9FO/c10-8-4-5-9(11)7-3-1-2-6(7)8/h4-5,11H,1-3H2
InChIKey
MBECZUQIIUUOTN-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c2c1CCC2)F
Isomeric Smiles
c12c(c(ccc1F)O)CCC2
Calculated Properties
JChem
Acid pKa
9.632918
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8200362
LogD (pH = 7.4)
2.817549
Log P
2.820068
Molar Refractivity
41.1365
Polarizability
15.247456
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
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References
Bioactivity
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