Molecule

ID:7482

General Information
Structure
Molecular Formula
C₁₀H₅ClF₃NO
Molecular Mass
247.6010096
Exact Mass
247.00117613
Charge
0
InChI
InChI=1S/C10H5ClF3NO/c11-6-3-1-2-5-7(16)4-8(10(12,13)14)15-9(5)6/h1-4H,(H,15,16)
InChIKey
SBVZSZNYPRWWNN-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc2c1nc(cc2O)C(F)(F)F
Isomeric Smiles
c1cc(c2c(c1)c(cc(n2)C(F)(F)F)O)Cl
Calculated Properties
JChem
Acid pKa
9.553557
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.695041
LogD (pH = 7.4)
3.6920972
Log P
3.6950786
Molar Refractivity
52.3667
Polarizability
20.591904
Polar Surface Area
33.12
Rotatable Bonds
1
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
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References
Bioactivity
Navigation
CAS 18706-22-4|8-chloro-2-(trifluoromethyl)quinolin-4-ol|8-chloro-2-(trifluoromethyl)quinolin-4-ol|8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline|8-Chloro-4-hydroxy-2-(trifluoromethyl)quinoline 97%... | Molfinder