Molecule

ID:100342

General Information
Structure
MolImage
Molecular Formula
C₈H₇FO
Molecular Mass
138.1389832
Exact Mass
138.04809306
Charge
0
InChI
InChI=1S/C8H7FO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5H,3-4H2
InChIKey
PAVTXINZFWRQOD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)CCO2
Isomeric Smiles
O1c2ccc(cc2CC1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.998165
LogD (pH = 7.4)
1.998165
Log P
1.998165
Molar Refractivity
36.0472
Polarizability
13.557351
Polar Surface Area
9.23
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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