Molecule

ID:92573

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₂BrNS
Molecular Mass
330.24218
Exact Mass
328.98738239
Charge
0
InChI
InChI=1S/C16H12BrNS/c17-11-14-15(12-7-3-1-4-8-12)18-16(19-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKey
QDYJLVQRXQKPKL-UHFFFAOYSA-N
Canonic Smiles
BrCc1sc(nc1c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)sc(c1c1ccccc1)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5950356
LogD (pH = 7.4)
5.595061
Log P
5.5950613
Molar Refractivity
93.7667
Polarizability
33.713776
Polar Surface Area
12.89
Rotatable Bonds
3
Lipinski's Rule of Five
false
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