Molecule

ID:78629

General Information
Structure
Molecular Formula
C₁₀H₁₀BrClO₂
Molecular Mass
277.5422
Exact Mass
275.95526924
Charge
0
InChI
InChI=1S/C10H10BrClO2/c1-6-2-7(12)3-9(11)10(6)14-5-8-4-13-8/h2-3,8H,4-5H2,1H3
InChIKey
GCOWELVTGROOIW-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(C)c(c(c1)Br)OCC1OC1
Isomeric Smiles
O1C(C1)COc1c(cc(cc1C)Cl)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5430598
LogD (pH = 7.4)
3.5430598
Log P
3.5430598
Molar Refractivity
58.7347
Polarizability
23.056715
Polar Surface Area
21.76
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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