Molecule

ID:95132

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁FO₂
Molecular Mass
146.1594432
Exact Mass
146.07430781
Charge
0
InChI
InChI=1S/C7H11FO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10)
InChIKey
KPHYQWGKSTZREA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1(F)CCCCC1
Isomeric Smiles
O=C(C1(CCCCC1)F)O
Calculated Properties
JChem
Acid pKa
4.0018206
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.3701816
LogD (pH = 7.4)
-1.2801092
Log P
1.8779157
Molar Refractivity
33.7078
Polarizability
13.225458
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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