Molecule

ID:16347

General Information
Structure
Molecular Formula
C₇H₁₀F₂O₂
Molecular Mass
164.1499064
Exact Mass
164.064886
Charge
0
InChI
InChI=1S/C7H10F2O2/c8-7(9)3-1-5(2-4-7)6(10)11/h5H,1-4H2,(H,10,11)
InChIKey
HYIUDFLDFSIXTR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCC(CC1)(F)F
Isomeric Smiles
C1C(CCC(C1)C(=O)O)(F)F
Calculated Properties
JChem
Acid pKa
4.2528076
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.108171634
LogD (pH = 7.4)
-1.6198274
Log P
1.3770127
Molar Refractivity
34.4417
Polarizability
13.119617
Polar Surface Area
37.3
Rotatable Bonds
1
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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