Molecule

ID:77968

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂S
Molecular Mass
100.14226
Exact Mass
100.00951914
Charge
0
InChI
InChI=1S/C3H4N2S/c4-3-1-5-2-6-3/h1-2H,4H2
InChIKey
LKFXYYLRIUSARI-UHFFFAOYSA-N
Canonic Smiles
Nc1cncs1
Isomeric Smiles
s1cncc1N
Calculated Properties
JChem
Acid pKa
19.62839
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.032856338
LogD (pH = 7.4)
-0.030916803
Log P
-0.030891387
Molar Refractivity
25.1267
Polarizability
9.283823
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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