Molecule

ID:76033

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₈N₄S
Molecular Mass
262.37382
Exact Mass
262.1252176
Charge
0
InChI
InChI=1S/C13H18N4S/c1-14-8-10-2-5-17(6-3-10)13-12-11(4-7-18-12)15-9-16-13/h4,7,9-10,14H,2-3,5-6,8H2,1H3
InChIKey
WDLUKYARQVQMCZ-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(CC1)c1ncnc2c1scc2
Isomeric Smiles
s1c2c(ncnc2N2CCC(CC2)CNC)cc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.1258457
LogD (pH = 7.4)
-0.8334464
Log P
2.118471
Molar Refractivity
75.4069
Polarizability
29.540428
Polar Surface Area
41.05
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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