Molecule

ID:59245

General Information
Structure
MolImage
Molecular Formula
C₅H₅N₃S
Molecular Mass
139.1783
Exact Mass
139.02041818
Charge
0
InChI
InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
InChIKey
LIURPUMROGYCLW-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cnccn1
Isomeric Smiles
c1(C(=S)N)nccnc1
Calculated Properties
JChem
Acid pKa
11.393948
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.3357396
LogD (pH = 7.4)
-0.33569956
Log P
-0.33573884
Molar Refractivity
38.4415
Polarizability
14.747657
Polar Surface Area
51.8
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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