Molecule

ID:79725

General Information
Structure
Molecular Formula
C₁₀H₁₄Br₄O
Molecular Mass
469.83356
Exact Mass
465.77781307
Charge
0
InChI
InChI=1S/C10H14Br4O/c1-8(2)6(15)10(14)4-3-9(8,5(10)11)7(12)13/h5-7,15H,3-4H2,1-2H3
InChIKey
MXWOGZXJHDUNLB-UHFFFAOYSA-N
Canonic Smiles
BrC(C12CCC(C1Br)(C(C2(C)C)O)Br)Br
Isomeric Smiles
BrC12C(C(C(C1O)(C)C)(CC2)C(Br)Br)Br
Calculated Properties
JChem
Acid pKa
13.602041
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.33644
LogD (pH = 7.4)
3.3364398
Log P
3.33644
Molar Refractivity
75.4779
Polarizability
30.159142
Polar Surface Area
20.23
Rotatable Bonds
1
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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