Molecule

ID:6659

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₅F₃O
Molecular Mass
314.3857096
Exact Mass
314.18575008
Charge
0
InChI
InChI=1S/C18H25F3O/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(22)18(19,20)21/h11-14H,2-10H2,1H3
InChIKey
GJNWUVBDBVUZKP-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCc1ccc(cc1)C(=O)C(F)(F)F
Isomeric Smiles
c1cc(ccc1CCCCCCCCCC)C(=O)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.1777616
LogD (pH = 7.4)
7.1777616
Log P
7.1777616
Molar Refractivity
83.9212
Polarizability
31.528048
Polar Surface Area
17.07
Rotatable Bonds
11
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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