Molecule

ID:87289

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrNS
Molecular Mass
228.10894
Exact Mass
226.9404322
Charge
0
InChI
InChI=1S/C8H6BrNS/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChIKey
RXWYFLRAEYPAIV-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(c(c1)C)Br
Isomeric Smiles
N(=C=S)c1cc(c(cc1)Br)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.2772436
LogD (pH = 7.4)
4.277245
Log P
4.277245
Molar Refractivity
55.7849
Polarizability
20.511183
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
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