Molecule

ID:57686

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁N₃S₂
Molecular Mass
189.30164
Exact Mass
189.03943937
Charge
0
InChI
InChI=1S/C6H11N3S2/c1-2-3-4-10-6-9-8-5(7)11-6/h2-4H2,1H3,(H2,7,8)
InChIKey
BTZYSJIUOKOHOS-UHFFFAOYSA-N
Canonic Smiles
CCCCSc1nnc(s1)N
Isomeric Smiles
s1c(nnc1N)SCCCC
Calculated Properties
JChem
Acid pKa
14.496382
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.1362023
LogD (pH = 7.4)
2.136204
Log P
2.1362042
Molar Refractivity
51.7179
Polarizability
18.855076
Polar Surface Area
51.8
Rotatable Bonds
4
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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