Molecule

ID:64275

General Information
Structure
MolImage
Molecular Formula
C₈H₁₀BrNO₂S
Molecular Mass
264.1395
Exact Mass
262.96156157
Charge
0
InChI
InChI=1S/C8H10BrNO2S/c1-4(2)6-5(7(11)12-3)10-8(9)13-6/h4H,1-3H3
InChIKey
AQOIWGWWWPVWHM-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1nc(sc1C(C)C)Br
Isomeric Smiles
c1(c(sc(n1)Br)C(C)C)C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2628815
LogD (pH = 7.4)
3.2628815
Log P
3.2628815
Molar Refractivity
54.5964
Polarizability
21.12439
Polar Surface Area
39.19
Rotatable Bonds
3
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