Molecule

ID:95476

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉F₃NO₇PS
Molecular Mass
433.3371306
Exact Mass
433.05719424
Charge
0
InChI
InChI=1S/C14H19F3NO7PS/c1-5-25-12(19)13(14(15,16)17,26(20,23-3)24-4)18-27(21,22)11-8-6-10(2)7-9-11/h6-9,18H,5H2,1-4H3
InChIKey
FZWWUMXNKPQYJQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C(P(=O)(OC)OC)(C(F)(F)F)NS(=O)(=O)c1ccc(cc1)C
Isomeric Smiles
S(=O)(=O)(c1ccc(cc1)C)NC(P(=O)(OC)OC)(C(F)(F)F)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.283016
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
3.062731
LogD (pH = 7.4)
3.0622184
Log P
3.0627375
Molar Refractivity
88.7466
Polarizability
35.458378
Polar Surface Area
108.0
Rotatable Bonds
9
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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