Molecule
ID:84172
General Information
Molecular Formula
C₇H₁₄BrNO₃S
Molecular Mass
272.15996
Exact Mass
270.98777631
Charge
0
InChI
InChI=1S/C7H14BrNO3S/c1-6-3-9(4-7(2)12-6)13(10,11)5-8/h6-7H,3-5H2,1-2H3
InChIKey
NNFVNCIFRWPQSK-UHFFFAOYSA-N
Canonic Smiles
BrCS(=O)(=O)N1CC(C)OC(C1)C
Isomeric Smiles
S(=O)(=O)(N1CC(C)OC(C1)C)CBr
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.48561755
LogD (pH = 7.4)
0.48561755
Log P
0.48561755
Molar Refractivity
53.4669
Polarizability
21.888737
Polar Surface Area
46.61
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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