Molecule

ID:69985

General Information
Structure
Molecular Formula
C₁₀H₄Cl₂F₃NO
Molecular Mass
282.0460696
Exact Mass
280.96220377
Charge
0
InChI
InChI=1S/C10H4Cl2F3NO/c11-4-1-5(12)9-6(2-4)16-8(3-7(9)17)10(13,14)15/h1-3H,(H,16,17)
InChIKey
UPYWRJPYAKQWLV-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1)nc(cc2O)C(F)(F)F
Isomeric Smiles
n1c(cc(c2c(cc(cc12)Cl)Cl)O)C(F)(F)F
Calculated Properties
JChem
Acid pKa
9.159866
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.29903
LogD (pH = 7.4)
4.29179
Log P
4.2991233
Molar Refractivity
57.1715
Polarizability
22.573929
Polar Surface Area
33.12
Rotatable Bonds
1
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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