Molecule

ID:99875

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉F₁₃O
Molecular Mass
392.1571016
Exact Mass
392.04458177
Charge
0
InChI
InChI=1S/C10H9F13O/c11-5(12,3-1-2-4-24)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h24H,1-4H2
InChIKey
HJYIVOYQMVJCSM-UHFFFAOYSA-N
Canonic Smiles
OCCCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
OCCCCC(F)(C(F)(F)C(C(F)(F)C(C(F)(F)F)(F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
16.843815
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.7329226
LogD (pH = 7.4)
4.7329226
Log P
4.7329226
Molar Refractivity
51.2728
Polarizability
19.382446
Polar Surface Area
20.23
Rotatable Bonds
9
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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