Molecule

ID:32241

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉BrN₂O₃S
Molecular Mass
375.28126
Exact Mass
374.02997548
Charge
0
InChI
InChI=1S/C14H19BrN2O3S/c15-11-14(18)16-12-5-7-13(8-6-12)21(19,20)17-9-3-1-2-4-10-17/h5-8H,1-4,9-11H2,(H,16,18)
InChIKey
HPCRIQLRTIGNLW-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1
Isomeric Smiles
S(=O)(=O)(N1CCCCCC1)c1ccc(NC(=O)CBr)cc1
Calculated Properties
JChem
Acid pKa
12.879602
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.2821128
LogD (pH = 7.4)
2.2821116
Log P
2.2821128
Molar Refractivity
87.352
Polarizability
33.59898
Polar Surface Area
66.48
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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