Molecule

ID:25209

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀N₄S
Molecular Mass
158.2247
Exact Mass
158.06261734
Charge
0
InChI
InChI=1S/C5H10N4S/c1-4-8-9-5(10-4)7-3-2-6/h2-3,6H2,1H3,(H,7,9)
InChIKey
OQOZKSBXZRPLKA-UHFFFAOYSA-N
Canonic Smiles
Cc1nnc(s1)NCCN
Isomeric Smiles
s1c(nnc1C)NCCN
Calculated Properties
JChem
Acid pKa
14.094443
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-3.7671375
LogD (pH = 7.4)
-2.9238455
Log P
-0.76859903
Molar Refractivity
43.4468
Polarizability
15.396669
Polar Surface Area
63.83
Rotatable Bonds
3
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
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References
Bioactivity
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