Molecule

ID:81201

General Information
Structure
MolImage
Molecular Formula
C₈H₁₂BrNOS₂
Molecular Mass
282.22098
Exact Mass
280.95436801
Charge
0
InChI
InChI=1S/C8H12BrNOS2/c1-7(9)6-13-8(12)10-2-4-11-5-3-10/h1-6H2
InChIKey
BWIVCNDFAKIOBU-UHFFFAOYSA-N
Canonic Smiles
S=C(N1CCOCC1)SCC(=C)Br
Isomeric Smiles
N1(C(=S)SCC(=C)Br)CCOCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3353891
LogD (pH = 7.4)
2.3353891
Log P
2.3353891
Molar Refractivity
66.1441
Polarizability
25.547216
Polar Surface Area
12.47
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Synonyms
2-bromoallyl morpholine-4-carbodithioate
Registration numbers
Properties
No Data Available
Click here to submit data
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