Molecule

ID:81869

General Information
Structure
MolImage
Molecular Formula
C₁₀H₅Cl₅O₂
Molecular Mass
334.4105
Exact Mass
331.8732178
Charge
0
InChI
InChI=1S/C10H5Cl5O2/c11-4-1-2-5(6(12)3-4)7(16)8-9(17-8)10(13,14)15/h1-3,8-9H
InChIKey
LDPFEPGGLUKXDY-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)C(=O)C1OC1C(Cl)(Cl)Cl
Isomeric Smiles
O1C(C1C(=O)c1ccc(cc1Cl)Cl)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
11.854571
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2402153
LogD (pH = 7.4)
4.2402005
Log P
4.240216
Molar Refractivity
69.9248
Polarizability
27.335764
Polar Surface Area
29.6
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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