Molecule

ID:24731

General Information
Structure
MolImage
Molecular Formula
C₆H₉N₃S
Molecular Mass
155.22076
Exact Mass
155.0517183
Charge
0
InChI
InChI=1S/C6H9N3S/c7-3-5-4-10-6-8-1-2-9(5)6/h4H,1-3,7H2
InChIKey
KLSGPRPKBJAGET-UHFFFAOYSA-N
Canonic Smiles
NCc1csc2=NCCn12
Isomeric Smiles
c12=NCCn1c(cs2)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.944089
LogD (pH = 7.4)
-1.9325222
Log P
-0.5617543
Molar Refractivity
44.2313
Polarizability
16.562393
Polar Surface Area
41.62
Rotatable Bonds
1
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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