Molecule

ID:123418

General Information
Structure
MolImage
Molecular Formula
C₃H₄BrClO
Molecular Mass
171.42026
Exact Mass
169.91340443
Charge
0
InChI
InChI=1S/C3H4BrClO/c4-2-1-3(5)6/h1-2H2
InChIKey
IHBVNSPHKMCPST-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CCBr
Isomeric Smiles
C(=O)(CCBr)Cl
Calculated Properties
JChem
Acid pKa
18.906792
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2698357
LogD (pH = 7.4)
1.2698357
Log P
1.2698357
Molar Refractivity
28.9383
Polarizability
11.2970295
Polar Surface Area
17.07
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
No Data Available
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Molecule Details
References
Bioactivity
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