Molecule

ID:3348

General Information
Structure
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Molecular Formula
C₇H₈N₂S
Molecular Mass
152.21682
Exact Mass
152.04081927
Charge
0
InChI
InChI=1S/C7H8N2S/c8-7(10)9-6-4-2-1-3-5-6/h1-5H,(H3,8,9,10)
InChIKey
FULZLIGZKMKICU-UHFFFAOYSA-N
Canonic Smiles
NC(=S)Nc1ccccc1
Isomeric Smiles
NC(=S)Nc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.77
LogD (pH = 5.5)
1.77
Log P
1.77
Rotatable Bonds
1
H Donor
2
H Acceptors
0
Lipinski's Rule of Five
true
Acid pKa
13.90
Polar Surface Area
38.05
Polarizability
16.03
Molar Refractivity
47.59
LOG S
-2.49
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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