Molecule

ID:123434

General Information
Structure
MolImage
Molecular Formula
C₄H₉BrO
Molecular Mass
153.01766
Exact Mass
151.98367691
Charge
0
InChI
InChI=1S/C4H9BrO/c1-2-6-4-3-5/h2-4H2,1H3
InChIKey
MMYKTRPLXXWLBC-UHFFFAOYSA-N
Canonic Smiles
BrCCOCC
Isomeric Smiles
BrCCOCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3313425
LogD (pH = 7.4)
1.3313425
Log P
1.3313425
Molar Refractivity
30.0879
Polarizability
11.638869
Polar Surface Area
9.23
Rotatable Bonds
3
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
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Related Proteins
No Data Available
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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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