Molecule

ID:101322

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₅N₃S
Molecular Mass
209.3112
Exact Mass
209.0986685
Charge
0
InChI
InChI=1S/C10H15N3S/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
InChIKey
FFHDQWVSXSKWLF-UHFFFAOYSA-N
Canonic Smiles
NCc1ccnc(c1)N1CCSCC1
Isomeric Smiles
c1(N2CCSCC2)nccc(c1)CN
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0647347
LogD (pH = 7.4)
-1.0043981
Log P
0.94500196
Molar Refractivity
62.4767
Polarizability
23.63264
Polar Surface Area
42.15
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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