Molecule

ID:63353

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrO
Molecular Mass
151.00178
Exact Mass
149.96802684
Charge
0
InChI
InChI=1S/C4H7BrO/c5-4-1-2-6-3-4/h4H,1-3H2
InChIKey
NPZIPXHYLXTEAB-UHFFFAOYSA-N
Canonic Smiles
BrC1COCC1
Isomeric Smiles
C1C(Br)CCO1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.9227364
LogD (pH = 7.4)
0.9227364
Log P
0.9227364
Molar Refractivity
27.9059
Polarizability
10.966795
Polar Surface Area
9.23
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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