Molecule

ID:96602

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅F₁₅O₂
Molecular Mass
442.121548
Exact Mass
442.0050027
Charge
0
InChI
InChI=1S/C10H5F15O2/c1-2-27-3(26)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2H2,1H3
InChIKey
JTOFFHFAQBLPTM-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(=O)C(F)(F)C(F)(F)C(F)(F)C(C(C(F)(F)C(F)(F)F)(F)F)(F)F)CC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.6155415
LogD (pH = 7.4)
5.6155415
Log P
5.6155415
Molar Refractivity
51.1796
Polarizability
20.037382
Polar Surface Area
26.3
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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