Molecule
ID:56648
General Information
Molecular Formula
C₈H₅Br₂ClO₂
Molecular Mass
328.3851
Exact Mass
325.83448108
Charge
0
InChI
InChI=1S/C8H5Br2ClO2/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4H2
InChIKey
ABJOJUXBOIRTBS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)COc1ccc(cc1Br)Br
Isomeric Smiles
c1(cc(ccc1OCC(=O)Cl)Br)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3643928
LogD (pH = 7.4)
3.3643928
Log P
3.3643928
Molar Refractivity
57.7099
Polarizability
22.738997
Polar Surface Area
26.3
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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