Molecule

ID:10409

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄ClF₃O₃
Molecular Mass
264.5851696
Exact Mass
263.98010633
Charge
0
InChI
InChI=1S/C10H4ClF3O3/c11-6-1-4-5(10(12,13)14)2-9(16)17-8(4)3-7(6)15/h1-3,15H
InChIKey
AJOANILONFCHFL-UHFFFAOYSA-N
Canonic Smiles
O=c1oc2cc(O)c(cc2c(c1)C(F)(F)F)Cl
Isomeric Smiles
c1(c(cc2c(c1)c(cc(=O)o2)C(F)(F)F)O)Cl
Calculated Properties
JChem
Acid pKa
5.917838
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.608427
LogD (pH = 7.4)
1.3442966
Log P
2.7476606
Molar Refractivity
53.5488
Polarizability
19.690172
Polar Surface Area
46.53
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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