Molecule

ID:87613

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅BrO₂S
Molecular Mass
279.1939
Exact Mass
277.99761272
Charge
0
InChI
InChI=1S/C10H15BrO2S/c1-4-12-10(13-5-2)8-6-7(3)9(11)14-8/h6,10H,4-5H2,1-3H3
InChIKey
XIHFWFIXJSZBPH-UHFFFAOYSA-N
Canonic Smiles
CCOC(c1cc(c(s1)Br)C)OCC
Isomeric Smiles
s1c(c(C)cc1C(OCC)OCC)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2025924
LogD (pH = 7.4)
4.2025924
Log P
4.2025924
Molar Refractivity
61.6172
Polarizability
24.252207
Polar Surface Area
18.46
Rotatable Bonds
5
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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