Molecule

ID:50885

General Information
Structure
MolImage
Molecular Formula
C₅H₈N₂S
Molecular Mass
128.19542
Exact Mass
128.04081927
Charge
0
InChI
InChI=1S/C5H8N2S/c6-2-1-5-7-3-4-8-5/h3-4H,1-2,6H2
InChIKey
TWZOYAWHWDRMEZ-UHFFFAOYSA-N
Canonic Smiles
NCCc1nccs1
Isomeric Smiles
n1c(scc1)CCN
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9110305
LogD (pH = 7.4)
-1.8992423
Log P
0.06798622
Molar Refractivity
33.7662
Polarizability
13.2379465
Polar Surface Area
38.91
Rotatable Bonds
2
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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