Molecule

ID:7263

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₁₁O
Molecular Mass
314.0964352
Exact Mass
314.0164752
Charge
0
InChI
InChI=1S/C7H5F11O/c8-3(9,1-2-19)5(11,12)4(10,6(13,14)15)7(16,17)18/h19H,1-2H2
InChIKey
CEUQRWZHUUPZGD-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(CCO)(F)F)(F)F)(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
Acid pKa
15.764036
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.2477295
LogD (pH = 7.4)
3.2477295
Log P
3.2477295
Molar Refractivity
37.1093
Polarizability
14.253323
Polar Surface Area
20.23
Rotatable Bonds
6
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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