Molecule

ID:19175

General Information
Structure
MolImage
Molecular Formula
C₇H₄Br₂O₂
Molecular Mass
279.91346
Exact Mass
277.85780337
Charge
0
InChI
InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
InChIKey
SFTFNJZWZHASAQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc(Br)cc(c1)Br
Isomeric Smiles
c1(cc(cc(c1)C(=O)O)Br)Br
Calculated Properties
JChem
Acid pKa
3.793719
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4600717
LogD (pH = 7.4)
-0.096921824
Log P
3.168334
Molar Refractivity
48.5598
Polarizability
18.738546
Polar Surface Area
37.3
Rotatable Bonds
1
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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