Molecule

ID:8331

General Information
Structure
Molecular Formula
C₈H₇FO₂
Molecular Mass
154.1383832
Exact Mass
154.04300768
Charge
0
InChI
InChI=1S/C8H7FO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
YEAUYVGUXSZCFI-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cc1cccc(c1)F
Isomeric Smiles
C(=O)(Cc1cccc(c1)F)O
Calculated Properties
JChem
Acid pKa
3.759389
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.012269343
LogD (pH = 7.4)
-1.5268668
Log P
1.7536961
Molar Refractivity
37.582
Polarizability
14.249893
Polar Surface Area
37.3
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
References
Bioactivity
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