Molecule

ID:101482

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂S
Molecular Mass
190.2648
Exact Mass
190.05646933
Charge
0
InChI
InChI=1S/C10H10N2S/c11-6-9-3-4-10(13-9)8-2-1-5-12-7-8/h1-5,7H,6,11H2
InChIKey
JHLIGYPHPBLDDL-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(s1)c1cccnc1
Isomeric Smiles
c1(sc(cc1)CN)c1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.4498985
LogD (pH = 7.4)
-0.009458994
Log P
1.4381547
Molar Refractivity
54.1847
Polarizability
22.435947
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