Molecule

ID:58875

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁FO₂
Molecular Mass
146.1594432
Exact Mass
146.07430781
Charge
0
InChI
InChI=1S/C7H11FO2/c8-6-3-1-5(2-4-6)7(9)10/h5-6H,1-4H2,(H,9,10)
InChIKey
IUMDEBKXOXPBEX-UHFFFAOYSA-N
Canonic Smiles
FC1CCC(CC1)C(=O)O
Isomeric Smiles
C1(CCC(CC1)F)C(=O)O
Calculated Properties
JChem
Acid pKa
4.564847
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.41277596
LogD (pH = 7.4)
-1.361297
Log P
1.3945297
Molar Refractivity
33.8233
Polarizability
13.224179
Polar Surface Area
37.3
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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