Molecule

ID:56899

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀BrClO₃
Molecular Mass
293.5416
Exact Mass
291.95018386
Charge
0
InChI
InChI=1S/C10H10BrClO3/c1-3-15-9-4-6(10(12)13)7(11)5-8(9)14-2/h4-5H,3H2,1-2H3
InChIKey
KEGBFVRCVUYMHR-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C(=O)Cl)c(cc1OC)Br
Isomeric Smiles
c1(c(cc(c(c1)Br)C(=O)Cl)OCC)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9743764
LogD (pH = 7.4)
2.9743764
Log P
2.9743764
Molar Refractivity
62.4705
Polarizability
23.9521
Polar Surface Area
35.53
Rotatable Bonds
4
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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