Molecule

ID:42671

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c1-2-7(10-5-1)6-3-4-8-9-6/h1-5H,(H,8,9)
InChIKey
TVNDPZYOQCCHTJ-UHFFFAOYSA-N
Canonic Smiles
c1csc(c1)c1[nH]ncc1
Isomeric Smiles
c1(c2sccc2)[nH]ncc1
Calculated Properties
JChem
Acid pKa
10.130144
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.621721
LogD (pH = 7.4)
1.6210155
Log P
1.6218044
Molar Refractivity
41.649
Polarizability
16.74086
Polar Surface Area
28.68
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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