Molecule

ID:25024

General Information
Structure
MolImage
Molecular Formula
C₅H₂Br₂O₂
Molecular Mass
253.87618
Exact Mass
251.8421533
Charge
0
InChI
InChI=1S/C5H2Br2O2/c6-4-1-3(2-8)9-5(4)7/h1-2H
InChIKey
CRHHCCZDQZBLPL-UHFFFAOYSA-N
Canonic Smiles
O=Cc1oc(c(c1)Br)Br
Isomeric Smiles
c1(c(cc(o1)C=O)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.9838556
LogD (pH = 7.4)
1.9838556
Log P
1.9838556
Molar Refractivity
40.0605
Polarizability
15.477368
Polar Surface Area
30.21
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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