Molecule

ID:33425

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄S
Molecular Mass
206.2675
Exact Mass
206.06261734
Charge
0
InChI
InChI=1S/C9H10N4S/c10-2-1-7-6-14-9(13-7)8-5-11-3-4-12-8/h3-6H,1-2,10H2
InChIKey
FOWBCLPVGCFPKY-UHFFFAOYSA-N
Canonic Smiles
NCCc1csc(n1)c1cnccn1
Isomeric Smiles
c1(nc(cs1)CCN)c1nccnc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9368665
LogD (pH = 7.4)
-2.0019712
Log P
0.05156738
Molar Refractivity
64.3328
Polarizability
21.73387
Polar Surface Area
64.69
Rotatable Bonds
3
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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