Molecule

ID:109362

General Information
Structure
MolImage
Molecular Formula
C₃H₇BrO
Molecular Mass
138.99108
Exact Mass
137.96802684
Charge
0
InChI
InChI=1S/C3H7BrO/c1-3(5)2-4/h3,5H,2H2,1H3
InChIKey
WEGOLYBUWCMMMY-UHFFFAOYSA-N
Canonic Smiles
CC(CBr)O
Isomeric Smiles
CC(O)CBr
Calculated Properties
JChem
Acid pKa
14.727897
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.74798304
LogD (pH = 7.4)
0.74798304
Log P
0.74798304
Molar Refractivity
25.0069
Polarizability
9.8021965
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
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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
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Bioactivity
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