Molecule

ID:126993

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉Cl₅O
Molecular Mass
370.48566
Exact Mass
367.90960331
Charge
0
InChI
InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
InChIKey
UOAMTSKGCBMZTC-UHFFFAOYSA-N
Canonic Smiles
OC(C(Cl)(Cl)Cl)(c1ccc(cc1)Cl)c1ccc(cc1)Cl
Isomeric Smiles
Clc1ccc(cc1)C(O)(c1ccc(Cl)cc1)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
11.028857
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.5584292
LogD (pH = 7.4)
5.5583286
Log P
5.5584307
Molar Refractivity
86.8114
Polarizability
33.5796
Polar Surface Area
20.23
Rotatable Bonds
3
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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