Molecule

ID:56643

General Information
Structure
Molecular Formula
C₅H₅Br₂ClO
Molecular Mass
276.3536
Exact Mass
273.83956646
Charge
0
InChI
InChI=1S/C5H5Br2ClO/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3
InChIKey
YBVMOPAXONJJDD-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C1(C)CC1(Br)Br
Isomeric Smiles
C1(C(C1)(Br)Br)(C(=O)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.2321517
LogD (pH = 7.4)
2.2321517
Log P
2.2321517
Molar Refractivity
44.204
Polarizability
17.29762
Polar Surface Area
17.07
Rotatable Bonds
1
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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