Molecule

ID:97287

General Information
Structure
Molecular Formula
C₁₀H₁₀F₃NO₄
Molecular Mass
265.1859096
Exact Mass
265.05619247
Charge
0
InChI
InChI=1S/C10H10F3NO4/c11-10(12,13)9(14,8(17)18)4-5-1-2-6(15)7(16)3-5/h1-3,15-16H,4,14H2,(H,17,18)
InChIKey
WRJXYKIHRALFGX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(C(F)(F)F)(Cc1ccc(c(c1)O)O)N
Isomeric Smiles
Oc1c(ccc(c1)CC(C(=O)O)(N)C(F)(F)F)O
Calculated Properties
JChem
Acid pKa
1.5479649
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-0.5723693
LogD (pH = 7.4)
-1.8745883
Log P
0.058391556
Molar Refractivity
54.4929
Polarizability
20.579767
Polar Surface Area
103.78
Rotatable Bonds
4
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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