Molecule

ID:89983

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrNO₃S
Molecular Mass
306.17618
Exact Mass
304.97212625
Charge
0
InChI
InChI=1S/C10H12BrNO3S/c11-9-2-1-3-10(8-9)16(13,14)12-4-6-15-7-5-12/h1-3,8H,4-7H2
InChIKey
BMAMBBTZMVECJZ-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)S(=O)(=O)N1CCOCC1
Isomeric Smiles
Brc1cc(ccc1)S(=O)(=O)N1CCOCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.5768809
LogD (pH = 7.4)
1.5768809
Log P
1.5768809
Molar Refractivity
64.7066
Polarizability
25.878395
Polar Surface Area
46.61
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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