Molecule

ID:96634

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁F₃N₂O₄
Molecular Mass
386.3655496
Exact Mass
386.14534182
Charge
0
InChI
InChI=1S/C18H21F3N2O4/c1-25-16(24)8-6-4-2-3-5-7-15-22-17(23-27-15)13-9-11-14(12-10-13)26-18(19,20)21/h9-12H,2-8H2,1H3
InChIKey
MXDFBAWVMAIEMI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)CCCCCCCc1onc(n1)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
n1c(onc1c1ccc(cc1)OC(F)(F)F)CCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
5.917506
LogD (pH = 7.4)
5.917506
Log P
5.917506
Molar Refractivity
98.2636
Polarizability
34.8581
Polar Surface Area
74.45
Rotatable Bonds
12
Lipinski's Rule of Five
false
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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