Molecule

ID:56924

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClO₂
Molecular Mass
277.5422
Exact Mass
275.95526924
Charge
0
InChI
InChI=1S/C10H10BrClO2/c1-6(2)14-9-4-3-7(11)5-8(9)10(12)13/h3-6H,1-2H3
InChIKey
QKKMFJLBNVQRLA-UHFFFAOYSA-N
Canonic Smiles
CC(Oc1ccc(cc1C(=O)Cl)Br)C
Isomeric Smiles
c1cc(c(cc1Br)C(=O)Cl)OC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5486226
LogD (pH = 7.4)
3.5486226
Log P
3.5486226
Molar Refractivity
60.4261
Polarizability
23.19049
Polar Surface Area
26.3
Rotatable Bonds
3
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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