Molecule

ID:68699

General Information
Structure
MolImage
Molecular Formula
C₄H₇BrO₃
Molecular Mass
183.00058
Exact Mass
181.95785608
Charge
0
InChI
InChI=1S/C4H7BrO3/c1-4(8,2-5)3(6)7/h8H,2H2,1H3,(H,6,7)/t4-/m0/s1
InChIKey
HBJAYXGUOOININ-BYPYZUCNSA-N
Canonic Smiles
C[C@@](C(=O)O)(CBr)O
Isomeric Smiles
C(=O)([C@@](CBr)(C)O)O
Calculated Properties
JChem
Acid pKa
2.7652295
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.2168348
LogD (pH = 7.4)
-3.042557
Log P
0.4541135
Molar Refractivity
31.1313
Polarizability
12.399661
Polar Surface Area
57.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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