Molecule

ID:42400

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₆OS
Molecular Mass
268.33864
Exact Mass
268.11063016
Charge
0
InChI
InChI=1S/C10H16N6OS/c1-4-16-9(17)8(5-14(2)3)18-10(16)13-15-6-11-12-7-15/h5-7,10,13H,4H2,1-3H3/b8-5-
InChIKey
WHTMYUJZGDJECI-YVMONPNESA-N
Canonic Smiles
CCN1C(Nn2cnnc2)S/C(=C\N(C)C)/C1=O
Isomeric Smiles
C\1(=C\N(C)C)/C(=O)N(C(S1)Nn1cnnc1)CC
Calculated Properties
JChem
Acid pKa
18.558508
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.0361779
LogD (pH = 7.4)
-0.77605325
Log P
-0.7714869
Molar Refractivity
85.9738
Polarizability
26.655514
Polar Surface Area
66.29
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
No Data Available
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Molecule Details
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References
Bioactivity
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