Molecule

ID:79724

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄Br₂O
Molecular Mass
310.02556
Exact Mass
307.94113907
Charge
0
InChI
InChI=1S/C10H14Br2O/c1-8(2)7(13)10(12)5-4-9(8,3)6(10)11/h6H,4-5H2,1-3H3
InChIKey
GAYCFDDDUIMMOM-UHFFFAOYSA-N
Canonic Smiles
BrC1C2(Br)CCC1(C)C(C2=O)(C)C
Isomeric Smiles
O=C1C2(C(C(C1(C)C)(C)CC2)Br)Br
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.066798
LogD (pH = 7.4)
4.066798
Log P
4.066798
Molar Refractivity
59.3484
Polarizability
23.445805
Polar Surface Area
17.07
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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