Molecule

ID:8711

General Information
Structure
MolImage
Molecular Formula
C₅H₄Br₂N₂OS
Molecular Mass
299.97106
Exact Mass
297.84110776
Charge
0
InChI
InChI=1S/C5H4Br2N2OS/c6-2-1-3(5(10)9-8)11-4(2)7/h1H,8H2,(H,9,10)
InChIKey
XYZOOBRFZARVRB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1sc(c(c1)Br)Br
Isomeric Smiles
c1c(c(sc1C(=O)NN)Br)Br
Calculated Properties
JChem
Acid pKa
12.594872
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1432385
LogD (pH = 7.4)
2.1437836
Log P
2.143793
Molar Refractivity
50.9159
Polarizability
19.580158
Polar Surface Area
55.12
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