Molecule

ID:8113

General Information
Structure
MolImage
Molecular Formula
C₁₀H₃F₁₉O
Molecular Mass
500.0998808
Exact Mass
499.9880509
Charge
0
InChI
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h30H,1H2
InChIKey
ZVOWIXGGKDLFPF-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Isomeric Smiles
C(CO)(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.703864
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5183334
LogD (pH = 7.4)
5.5183315
Log P
5.5183334
Molar Refractivity
51.6036
Polarizability
20.335684
Polar Surface Area
20.23
Rotatable Bonds
9
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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