Molecule

ID:89970

General Information
Structure
Molecular Formula
C₁₁H₁₄BrNO₂S
Molecular Mass
304.20336
Exact Mass
302.99286169
Charge
0
InChI
InChI=1S/C11H14BrNO2S/c12-10-4-6-11(7-5-10)16(14,15)13-8-2-1-3-9-13/h4-7H,1-3,8-9H2
InChIKey
AVWJTUSLSQWCFK-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc(cc1)S(=O)(=O)N1CCCCC1
Isomeric Smiles
Brc1ccc(cc1)S(=O)(=O)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.6457474
LogD (pH = 7.4)
2.6457474
Log P
2.6457474
Molar Refractivity
67.7741
Polarizability
26.924822
Polar Surface Area
37.38
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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