Molecule

ID:89474

General Information
Structure
Molecular Formula
C₆H₄N₂OS
Molecular Mass
152.17376
Exact Mass
152.00443376
Charge
0
InChI
InChI=1S/C6H4N2OS/c10-6-8-5-4(9-6)2-1-3-7-5/h1-3H,(H,7,8,10)
InChIKey
BRSZJWYJYOGBGK-UHFFFAOYSA-N
Canonic Smiles
S=c1oc2c([nH]1)nccc2
Isomeric Smiles
[nH]1c2c(cccn2)oc1=S
Calculated Properties
JChem
Acid pKa
12.271193
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5981994
LogD (pH = 7.4)
1.5982747
Log P
1.5982813
Molar Refractivity
42.4117
Polarizability
15.802974
Polar Surface Area
34.15
Rotatable Bonds
0
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