Molecule

ID:104751

General Information
Structure
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Molecular Formula
C₉H₃Cl₃O₃
Molecular Mass
265.47732
Exact Mass
263.914777
Charge
0
InChI
InChI=1S/C9H3Cl3O3/c10-7(13)4-1-5(8(11)14)3-6(2-4)9(12)15/h1-3H
InChIKey
UWCPYKQBIPYOLX-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl
Isomeric Smiles
ClC(=O)c1cc(cc(c1)C(=O)Cl)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5459836
LogD (pH = 7.4)
2.5459836
Log P
2.5459836
Molar Refractivity
59.4021
Polarizability
21.84943
Polar Surface Area
51.21
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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