Molecule

ID:10024

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrNO₂S
Molecular Mass
264.1395
Exact Mass
262.96156157
Charge
0
InChI
InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
NQAUNPZZVCXYEJ-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)c1ccc(cc1)Br)C
Isomeric Smiles
c1c(ccc(c1)S(=O)(=O)N(C)C)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7953813
LogD (pH = 7.4)
1.7953813
Log P
1.7953813
Molar Refractivity
55.6321
Polarizability
22.186563
Polar Surface Area
37.38
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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