Molecule

ID:39337

General Information
Structure
Molecular Formula
C₁₅H₁₉F₂NO₄
Molecular Mass
315.3124664
Exact Mass
315.12821453
Charge
0
InChI
InChI=1S/C15H19F2NO4/c1-15(2,3)22-14(21)18-10(8-13(19)20)6-9-4-5-11(16)12(17)7-9/h4-5,7,10H,6,8H2,1-3H3,(H,18,21)(H,19,20)/t10-/m0/s1
InChIKey
XZGBRONJONQTTA-JTQLQIEISA-N
Canonic Smiles
OC(=O)C[C@H](Cc1ccc(c(c1)F)F)NC(=O)OC(C)(C)C
Isomeric Smiles
c1(c(ccc(c1)C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)F)F
Calculated Properties
JChem
Acid pKa
4.166069
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
1.5890907
LogD (pH = 7.4)
-0.11631475
Log P
2.9399397
Molar Refractivity
75.0464
Polarizability
28.842829
Polar Surface Area
75.63
Rotatable Bonds
7
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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