Molecule

ID:38944

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆F₃NO₄
Molecular Mass
319.2763496
Exact Mass
319.10314266
Charge
0
InChI
InChI=1S/C14H16F3NO4/c1-14(2,3)22-13(21)18-10(12(19)20)6-7-4-8(15)11(17)9(16)5-7/h4-5,10H,6H2,1-3H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKey
CWPLICWOIFEQMR-SNVBAGLBSA-N
Canonic Smiles
OC(=O)[C@@H](Cc1cc(F)c(c(c1)F)F)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(c(cc(cc1F)C[C@H](C(=O)O)NC(=O)OC(C)(C)C)F)F
Calculated Properties
JChem
Acid pKa
3.374825
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.8861905
LogD (pH = 7.4)
-0.41133928
Log P
2.9978182
Molar Refractivity
70.6385
Polarizability
26.864815
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
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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