Molecule

ID:79791

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₇N₅OS
Molecular Mass
291.37198
Exact Mass
291.11538119
Charge
0
InChI
InChI=1S/C13H17N5OS/c1-17(2)10-6-4-9(5-7-10)8-11-12(19)18(14)13(20-3)16-15-11/h4-7H,8,14H2,1-3H3
InChIKey
GLQZBBIZROGHQC-UHFFFAOYSA-N
Canonic Smiles
CSc1nnc(c(=O)n1N)Cc1ccc(cc1)N(C)C
Isomeric Smiles
n1(c(=O)c(nnc1SC)Cc1ccc(cc1)N(C)C)N
Calculated Properties
JChem
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
2.0073266
LogD (pH = 7.4)
2.1026034
Log P
2.1039636
Molar Refractivity
83.4459
Polarizability
30.819687
Polar Surface Area
74.29
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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