Molecule

ID:89984

General Information
Structure
Molecular Formula
C₁₀H₁₄BrNO₂S
Molecular Mass
292.19266
Exact Mass
290.99286169
Charge
0
InChI
InChI=1S/C10H14BrNO2S/c1-3-12(4-2)15(13,14)10-7-5-6-9(11)8-10/h5-8H,3-4H2,1-2H3
InChIKey
ZELYQSZTABGDLA-UHFFFAOYSA-N
Canonic Smiles
CCN(S(=O)(=O)c1cccc(c1)Br)CC
Isomeric Smiles
Brc1cccc(c1)S(=O)(=O)N(CC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5089972
LogD (pH = 7.4)
2.5089972
Log P
2.5089972
Molar Refractivity
65.1293
Polarizability
25.809898
Polar Surface Area
37.38
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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