Molecule

ID:39788

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀F₃NO₄
Molecular Mass
277.1966096
Exact Mass
277.05619247
Charge
0
InChI
InChI=1S/C11H10F3NO4/c12-11(13,14)6-19-10(18)15-5-7-1-3-8(4-2-7)9(16)17/h1-4H,5-6H2,(H,15,18)(H,16,17)
InChIKey
UXHNDWIFAYRZDR-UHFFFAOYSA-N
Canonic Smiles
O=C(OCC(F)(F)F)NCc1ccc(cc1)C(=O)O
Isomeric Smiles
C(=O)(NCc1ccc(C(=O)O)cc1)OCC(F)(F)F
Calculated Properties
JChem
Acid pKa
4.065221
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.7028569
LogD (pH = 7.4)
-0.97067213
Log P
2.149831
Molar Refractivity
58.3051
Polarizability
21.567055
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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