Molecule

ID:82030

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Br₂O
Molecular Mass
310.02556
Exact Mass
307.94113907
Charge
0
InChI
InChI=1S/C10H14Br2O/c1-9(5-11)6-3-7(12)10(9,2)8(13)4-6/h6-7H,3-5H2,1-2H3
InChIKey
SPFMPLHTTYXRFI-UHFFFAOYSA-N
Canonic Smiles
BrCC1(C)C2CC(C1(C)C(=O)C2)Br
Isomeric Smiles
O=C1C2(C(C(C1)CC2Br)(CBr)C)C
Calculated Properties
JChem
Acid pKa
19.720564
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1215775
LogD (pH = 7.4)
3.1215775
Log P
3.1215775
Molar Refractivity
59.8512
Polarizability
23.437895
Polar Surface Area
17.07
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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