Molecule

ID:118208

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₃N₃OS
Molecular Mass
293.42762
Exact Mass
293.15618337
Charge
0
InChI
InChI=1S/C15H23N3OS/c1-5-18(6-2)10-9-16-15-17-13-12(19-4)8-7-11(3)14(13)20-15/h7-8H,5-6,9-10H2,1-4H3,(H,16,17)
InChIKey
ZBZBWQHJAKTNEI-UHFFFAOYSA-N
Canonic Smiles
CCN(CCNc1sc2c(n1)c(OC)ccc2C)CC
Isomeric Smiles
c12nc(sc1c(ccc2OC)C)NCCN(CC)CC
Calculated Properties
JChem
Acid pKa
16.174343
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.06601906
LogD (pH = 7.4)
1.5525383
Log P
3.3585105
Molar Refractivity
85.8165
Polarizability
33.609795
Polar Surface Area
37.39
Rotatable Bonds
7
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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