Molecule

ID:79718

General Information
Structure
Molecular Formula
C₁₀H₁₄Br₂O
Molecular Mass
310.02556
Exact Mass
307.94113907
Charge
0
InChI
InChI=1S/C10H14Br2O/c1-9(5-11)7-2-3-10(9,6-12)8(13)4-7/h7H,2-6H2,1H3
InChIKey
VWJROIUSFOLGSX-UHFFFAOYSA-N
Canonic Smiles
BrCC12CCC(C2(C)CBr)CC1=O
Isomeric Smiles
O=C1C2(C(C(C1)CC2)(CBr)C)CBr
Calculated Properties
JChem
Acid pKa
19.889322
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0716176
LogD (pH = 7.4)
3.0716176
Log P
3.0716176
Molar Refractivity
60.1104
Polarizability
23.436258
Polar Surface Area
17.07
Rotatable Bonds
2
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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