Molecule

ID:87247

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂S
Molecular Mass
150.20094
Exact Mass
150.0251692
Charge
0
InChI
InChI=1S/C7H6N2S/c8-6-4-10-7-1-2-9-3-5(6)7/h1-4H,8H2
InChIKey
FPDOHNGGIZTMKD-UHFFFAOYSA-N
Canonic Smiles
Nc1csc2c1cncc2
Isomeric Smiles
n1ccc2c(c1)c(cs2)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.79726243
LogD (pH = 7.4)
0.8026036
Log P
0.8026722
Molar Refractivity
41.9416
Polarizability
16.717297
Polar Surface Area
38.91
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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