Molecule

ID:69379

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9)
InChIKey
UHGULLIUJBCTEF-UHFFFAOYSA-N
Canonic Smiles
Nc1nc2c(s1)cccc2
Isomeric Smiles
s1c(nc2c1cccc2)N
Calculated Properties
JChem
Acid pKa
16.365042
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9310976
LogD (pH = 7.4)
1.9682986
Log P
1.9687958
Molar Refractivity
41.3024
Polarizability
16.749731
Polar Surface Area
38.91
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
References
Bioactivity
Navigation