Molecule
ID:8033
General Information
Molecular Formula
C₇H₄Br₄O
Molecular Mass
423.72206
Exact Mass
419.69956275
Charge
0
InChI
InChI=1S/C7H4Br4O/c1-2-3(8)5(10)7(12)6(11)4(2)9/h12H,1H3
InChIKey
OMVMKSWFUQZIFD-UHFFFAOYSA-N
Canonic Smiles
Cc1c(Br)c(Br)c(c(c1Br)Br)O
Isomeric Smiles
c1(c(c(c(c(c1Br)O)Br)Br)C)Br
Calculated Properties
JChem
Acid pKa
5.9540997
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
5.128513
LogD (pH = 7.4)
3.883861
Log P
5.2581124
Molar Refractivity
63.5713
Polarizability
25.063547
Polar Surface Area
20.23
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
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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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