Molecule

ID:84106

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₃O
Molecular Mass
311.59036
Exact Mass
309.97189795
Charge
0
InChI
InChI=1S/C15H9Cl3O/c16-11-6-4-10(5-7-11)15(19)9-8-12-13(17)2-1-3-14(12)18/h1-9H
InChIKey
UNMRSNMNIOEKID-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1c(Cl)cccc1Cl
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1c(cccc1Cl)Cl
Calculated Properties
JChem
Acid pKa
15.770905
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.7024593
LogD (pH = 7.4)
5.7024593
Log P
5.7024593
Molar Refractivity
81.2914
Polarizability
30.955217
Polar Surface Area
17.07
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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