Molecule

ID:96997

General Information
Structure
MolImage
Molecular Formula
C₇H₅F₁₁O
Molecular Mass
314.0964352
Exact Mass
314.0164752
Charge
0
InChI
InChI=1S/C7H5F11O/c8-2(4(11,12)1-19)5(13,14)7(17,18)6(15,16)3(9)10/h2-3,19H,1H2
InChIKey
UFQUKPRALAQKPN-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)F)(F)F
Isomeric Smiles
OCC(C(F)C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.733051
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.0110862
LogD (pH = 7.4)
3.0110843
Log P
3.0110865
Molar Refractivity
35.7641
Polarizability
14.240797
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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