Molecule

ID:96563

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄F₃NO₄
Molecular Mass
375.3826696
Exact Mass
375.16574291
Charge
0
InChI
InChI=1S/C18H24F3NO4/c1-22(14-10-12-15(13-11-14)26-18(19,20)21)16(23)8-6-4-3-5-7-9-17(24)25-2/h10-13H,3-9H2,1-2H3
InChIKey
HIVBSJSFXXALFB-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCC(=O)N(c1ccc(cc1)OC(F)(F)F)C
Isomeric Smiles
N(c1ccc(cc1)OC(F)(F)F)(C(=O)CCCCCCCC(=O)OC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6997337
LogD (pH = 7.4)
4.6997337
Log P
4.6997337
Molar Refractivity
85.7746
Polarizability
34.403545
Polar Surface Area
55.84
Rotatable Bonds
12
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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