Molecule

ID:7032

General Information
Structure
Molecular Formula
C₁₁H₇F₁₅O
Molecular Mass
440.148728
Exact Mass
440.02573814
Charge
0
InChI
InChI=1S/C11H7F15O/c1-2-3-27-4-5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3-4H2
InChIKey
DPOFHGRLDJWXKJ-UHFFFAOYSA-N
Canonic Smiles
C=CCOCC(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
C(COCC=C)(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)
6.014752
LogD (pH = 7.4)
6.014752
Log P
6.014752
Molar Refractivity
55.6333
Polarizability
21.072533
Polar Surface Area
9.23
Rotatable Bonds
10
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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