Molecule
ID:120373
General Information
Molecular Formula
C₅H₈Br₂O
Molecular Mass
243.92442
Exact Mass
241.89418888
Charge
0
InChI
InChI=1S/C5H8Br2O/c1-4(3-8)2-5(4,6)7/h8H,2-3H2,1H3
InChIKey
PADGJMYWLXIWPF-UHFFFAOYSA-N
Canonic Smiles
OCC1(C)CC1(Br)Br
Isomeric Smiles
C1(C(C1)(Br)Br)(CO)C
Calculated Properties
JChem
Acid pKa
15.043448
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2748438
LogD (pH = 7.4)
1.2748438
Log P
1.2748438
Molar Refractivity
40.403
Polarizability
15.79119
Polar Surface Area
20.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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