Molecule

ID:99290

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁FO₂
Molecular Mass
134.1487432
Exact Mass
134.07430781
Charge
0
InChI
InChI=1S/C6H11FO2/c1-4(2)3-5(7)6(8)9/h4-5H,3H2,1-2H3,(H,8,9)/t5-/m1/s1
InChIKey
XJSHQHONRQJNKY-RXMQYKEDSA-N
Canonic Smiles
F[C@@H](C(=O)O)CC(C)C
Isomeric Smiles
OC(=O)[C@@H](CC(C)C)F
Calculated Properties
JChem
Acid pKa
4.1666307
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.32305667
LogD (pH = 7.4)
-1.3825091
Log P
1.6733724
Molar Refractivity
30.8213
Polarizability
12.111345
Polar Surface Area
37.3
Rotatable Bonds
3
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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