Molecule

ID:7120

General Information
Structure
MolImage
Molecular Formula
C₄H₇FO
Molecular Mass
90.0961832
Exact Mass
90.04809306
Charge
0
InChI
InChI=1S/C4H7FO/c1-3(5)4(2)6/h3H,1-2H3
InChIKey
LJOQCXPELWJBRK-UHFFFAOYSA-N
Canonic Smiles
CC(=O)C(F)C
Isomeric Smiles
O=C(C)C(C)F
Calculated Properties
JChem
Acid pKa
16.850512
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.7488878
LogD (pH = 7.4)
0.7488878
Log P
0.7488878
Molar Refractivity
20.6988
Polarizability
7.955713
Polar Surface Area
17.07
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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