Molecule

ID:89985

General Information
Structure
Molecular Formula
C₈H₁₀BrNO₂S
Molecular Mass
264.1395
Exact Mass
262.96156157
Charge
0
InChI
InChI=1S/C8H10BrNO2S/c1-10(2)13(11,12)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKey
RHBJVOGENJVLGT-UHFFFAOYSA-N
Canonic Smiles
Brc1cccc(c1)S(=O)(=O)N(C)C
Isomeric Smiles
Brc1cccc(c1)S(=O)(=O)N(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7953813
LogD (pH = 7.4)
1.7953813
Log P
1.7953813
Molar Refractivity
55.6321
Polarizability
22.186834
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
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