Molecule

ID:80099

General Information
Structure
MolImage
Molecular Formula
C₆H₂Br₄O₂
Molecular Mass
425.69488
Exact Mass
421.6788273
Charge
0
InChI
InChI=1S/C6H2Br4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11/h11-12H
InChIKey
DTFQULSULHRJOA-UHFFFAOYSA-N
Canonic Smiles
Oc1c(Br)c(Br)c(c(c1Br)Br)O
Isomeric Smiles
Brc1c(c(c(c(c1O)Br)Br)O)Br
Calculated Properties
JChem
Acid pKa
5.686298
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.2240605
LogD (pH = 7.4)
2.6425316
Log P
4.441126
Molar Refractivity
60.511
Polarizability
24.164427
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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