Molecule

ID:90033

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂BrNO₂S
Molecular Mass
290.17678
Exact Mass
288.97721163
Charge
0
InChI
InChI=1S/C10H12BrNO2S/c11-9-4-3-5-10(8-9)15(13,14)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
InChIKey
SAGKQVHXBDTCPH-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)S(=O)(=O)N1CCCC1
Isomeric Smiles
N1(CCCC1)S(=O)(=O)c1cc(ccc1)Br
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2011788
LogD (pH = 7.4)
2.2011788
Log P
2.2011788
Molar Refractivity
63.1731
Polarizability
25.110874
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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