Molecule

ID:75427

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇Cl₃O₂
Molecular Mass
301.55248
Exact Mass
299.9511625
Charge
0
InChI
InChI=1S/C13H7Cl3O2/c14-7-5-9(13(18)11(16)6-7)12(17)8-3-1-2-4-10(8)15/h1-6,18H
InChIKey
NULXTAYCMKNTDL-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(c(c1)C(=O)c1ccccc1Cl)O
Isomeric Smiles
O=C(c1c(cccc1)Cl)c1cc(cc(c1O)Cl)Cl
Calculated Properties
JChem
Acid pKa
6.1521554
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.50467
LogD (pH = 7.4)
4.381941
Log P
5.5911674
Molar Refractivity
73.0288
Polarizability
28.287865
Polar Surface Area
37.3
Rotatable Bonds
2
Lipinski's Rule of Five
false
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
References
Bioactivity
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