Molecule

ID:24899

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀ClF₃N₂O₂
Molecular Mass
282.6468096
Exact Mass
282.03828991
Charge
0
InChI
InChI=1S/C10H10ClF3N2O2/c1-4(9(17)18)16-7(5-2-3-5)6(11)8(15-16)10(12,13)14/h4-5H,2-3H2,1H3,(H,17,18)
InChIKey
NFZYIAQTUJTWAA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(n1nc(c(c1C1CC1)Cl)C(F)(F)F)C
Isomeric Smiles
n1(c(c(c(n1)C(F)(F)F)Cl)C1CC1)C(C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.195431
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.65724826
LogD (pH = 7.4)
-0.5073333
Log P
2.9389277
Molar Refractivity
68.2895
Polarizability
21.37328
Polar Surface Area
55.12
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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