Molecule

ID:51949

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NS
Molecular Mass
225.39342
Exact Mass
225.15512074
Charge
0
InChI
InChI=1S/C13H23NS/c15-12-14-13-10-8-6-4-2-1-3-5-7-9-11-13/h13H,1-11H2
InChIKey
VSCLPFIUOOBLQJ-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CCCCCCCCCCC1
Isomeric Smiles
C1(CCCCCCCCCCC1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.5363326
LogD (pH = 7.4)
5.5363326
Log P
5.5363326
Molar Refractivity
69.9493
Polarizability
27.86644
Polar Surface Area
12.36
Rotatable Bonds
1
Lipinski's Rule of Five
false
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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