Molecule

ID:80011

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉Cl₃O
Molecular Mass
263.54756
Exact Mass
261.97189795
Charge
0
InChI
InChI=1S/C11H9Cl3O/c1-8-2-4-9(5-3-8)10(15)6-7-11(12,13)14/h2-7H,1H3
InChIKey
TZWAXFZQMXKOHK-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C)/C=C/C(Cl)(Cl)Cl
Isomeric Smiles
O=C(c1ccc(cc1)C)/C=C/C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
13.728827
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.1717296
LogD (pH = 7.4)
4.1717296
Log P
4.1717296
Molar Refractivity
67.2601
Polarizability
24.829916
Polar Surface Area
17.07
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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