Molecule

ID:36759

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂OS₂
Molecular Mass
286.372
Exact Mass
286.02345495
Charge
0
InChI
InChI=1S/C14H10N2OS2/c17-13-12(8-10-6-7-19-9-10)15-14(18)16(13)11-4-2-1-3-5-11/h1-9H,(H,15,18)/b12-8+
InChIKey
AYBQEWWUCWERSR-XYOKQWHBSA-N
Canonic Smiles
SC1=N/C(=C/c2cscc2)/C(=O)N1c1ccccc1
Isomeric Smiles
N1(C(=N/C(=C/c2cscc2)/C1=O)S)c1ccccc1
Calculated Properties
JChem
Acid pKa
6.100832
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.5833058
LogD (pH = 7.4)
2.7383583
Log P
3.6726978
Molar Refractivity
80.1563
Polarizability
30.05068
Polar Surface Area
32.67
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