Molecule

ID:79925

General Information
Structure
MolImage
Molecular Formula
C₈H₅KN₂S₃
Molecular Mass
264.432
Exact Mass
263.92519285
Charge
0
InChI
InChI=1S/C8H6N2S3.K/c11-7-9-10(8(12)13-7)6-4-2-1-3-5-6;/h1-5H,(H,9,11);/q;+1/p-1
InChIKey
QSKDCVGFAPHSHX-UHFFFAOYSA-M
Canonic Smiles
[K]Sc1sc(=S)n(n1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(=S)sc(n1)S[K]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7215
LogD (pH = 7.4)
2.7215
Log P
2.7215
Molar Refractivity
62.6945
Polarizability
26.936993
Polar Surface Area
15.6
Rotatable Bonds
2
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