Molecule

ID:65152

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-5-4-10-6-2-1-3-9-7(5)6/h1-4H,8H2
InChIKey
QNILVEIBHSZAQG-UHFFFAOYSA-N
Canonic Smiles
Nc1csc2c1nccc2
Isomeric Smiles
c1ccc2scc(c2n1)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1883786
LogD (pH = 7.4)
1.1885208
Log P
1.1885226
Molar Refractivity
41.5696
Polarizability
16.719612
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
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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