Molecule

ID:79722

General Information
Structure
Molecular Formula
C₁₀H₁₂Br₄O
Molecular Mass
467.81768
Exact Mass
463.762163
Charge
0
InChI
InChI=1S/C10H12Br4O/c1-8(2)6(15)10(14)4-3-9(8,5(10)11)7(12)13/h5,7H,3-4H2,1-2H3
InChIKey
OPEYARDNCSVPII-UHFFFAOYSA-N
Canonic Smiles
BrC(C12CCC(C1Br)(C(=O)C2(C)C)Br)Br
Isomeric Smiles
O=C1C(C2(C(C1(Br)CC2)Br)C(Br)Br)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2618165
LogD (pH = 7.4)
4.2618165
Log P
4.2618165
Molar Refractivity
74.8614
Polarizability
29.655342
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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