Molecule

ID:98740

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₁₅O
Molecular Mass
426.122148
Exact Mass
426.01008808
Charge
0
InChI
InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h3H,1-2H2
InChIKey
NTCFPSIOLPOKNV-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(CC1CO1)F
Isomeric Smiles
O1CC1CC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.442047
LogD (pH = 7.4)
5.442047
Log P
5.442047
Molar Refractivity
48.6236
Polarizability
19.133545
Polar Surface Area
12.53
Rotatable Bonds
8
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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