Molecule

ID:62934

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BrN₂O₂S
Molecular Mass
305.19142
Exact Mass
303.98811067
Charge
0
InChI
InChI=1S/C10H13BrN2O2S/c1-16(14,15)13-6-2-3-10(13)9-5-4-8(11)7-12-9/h4-5,7,10H,2-3,6H2,1H3
InChIKey
GHLJPWVOLCJVAJ-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(nc1)C1CCCN1S(=O)(=O)C
Isomeric Smiles
S(=O)(=O)(N1C(c2ncc(cc2)Br)CCC1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.88660693
LogD (pH = 7.4)
0.88687813
Log P
0.8868816
Molar Refractivity
64.7029
Polarizability
26.14134
Polar Surface Area
50.27
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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