Molecule

ID:51908

General Information
Structure
MolImage
Molecular Formula
C₈H₇N₃O₂S
Molecular Mass
209.22508
Exact Mass
209.02589748
Charge
0
InChI
InChI=1S/C8H7N3O2S/c1-13-8(12)5-2-4-6(9)10-3-11-7(4)14-5/h2-3H,1H3,(H2,9,10,11)
InChIKey
ZEWBGJXFMLNCFV-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc2c(c1)c(N)ncn2
Isomeric Smiles
c12c(sc(c1)C(=O)OC)ncnc2N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1762835
LogD (pH = 7.4)
1.1944336
Log P
1.1946703
Molar Refractivity
52.8383
Polarizability
19.717316
Polar Surface Area
78.1
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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