Molecule

ID:80451

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂S₂
Molecular Mass
220.31392
Exact Mass
220.01289027
Charge
0
InChI
InChI=1S/C10H8N2S2/c11-10(13)9-5-4-8(14-9)7-3-1-2-6-12-7/h1-6H,(H2,11,13)
InChIKey
VOYHCOULKKDLRP-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1ccc(s1)c1ccccn1
Isomeric Smiles
s1c(ccc1c1ncccc1)C(=S)N
Calculated Properties
JChem
Acid pKa
15.175658
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.4361947
LogD (pH = 7.4)
2.4387143
Log P
2.4387465
Molar Refractivity
62.4086
Polarizability
25.28701
Polar Surface Area
38.91
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