Molecule

ID:75502

General Information
Structure
MolImage
Molecular Formula
C₇H₈BrNO₂S
Molecular Mass
250.11292
Exact Mass
248.9459115
Charge
0
InChI
InChI=1S/C7H8BrNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3
InChIKey
HSCKMNXETNFFAJ-UHFFFAOYSA-N
Canonic Smiles
CNS(=O)(=O)c1ccccc1Br
Isomeric Smiles
O=S(=O)(c1ccccc1Br)NC
Calculated Properties
JChem
Acid pKa
9.159913
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5716211
LogD (pH = 7.4)
1.5650815
Log P
1.5717052
Molar Refractivity
50.7354
Polarizability
20.387005
Polar Surface Area
46.17
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation