Molecule

ID:125712

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁F₂NO₄
Molecular Mass
247.1954464
Exact Mass
247.06561428
Charge
0
InChI
InChI=1S/C10H11F2NO4/c11-8(12)10(13,9(16)17)4-5-1-2-6(14)7(15)3-5/h1-3,8,14-15H,4,13H2,(H,16,17)/t10-/m1/s1
InChIKey
XZVHHLNLLVICFA-SNVBAGLBSA-N
Canonic Smiles
FC([C@@](C(=O)O)(Cc1ccc(c(c1)O)O)N)F
Isomeric Smiles
c1cc(c(cc1C[C@@](C(F)F)(C(=O)O)N)O)O
Calculated Properties
JChem
Acid pKa
1.7376003
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.2371587
LogD (pH = 7.4)
-1.5960969
Log P
-1.2316988
Molar Refractivity
53.6032
Polarizability
20.658716
Polar Surface Area
103.78
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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