Molecule

ID:106272

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁F₃N₂O₅
Molecular Mass
344.2427496
Exact Mass
344.06200612
Charge
0
InChI
InChI=1S/C14H11F3N2O5/c15-14(16,17)8-4-12(22)24-10-3-6(1-2-7(8)10)19-13(23)9(18)5-11(20)21/h1-4,9H,5,18H2,(H,19,23)(H,20,21)/t9-/m0/s1
InChIKey
WNRFQOLUSQQSBY-VIFPVBQESA-N
Canonic Smiles
OC(=O)C[C@@H](C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F)N
Isomeric Smiles
N[C@@H](CC(=O)O)C(=O)Nc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Calculated Properties
JChem
Acid pKa
3.0213702
H Acceptors
5
H Donor
3
LogD (pH = 5.5)
-1.5758888
LogD (pH = 7.4)
-1.6163028
Log P
-1.5762799
Molar Refractivity
75.5151
Polarizability
27.76851
Polar Surface Area
118.72
Rotatable Bonds
5
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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