Molecule

ID:51953

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₅NS
Molecular Mass
227.4093
Exact Mass
227.17077081
Charge
0
InChI
InChI=1S/C13H25NS/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15/h2-12H2,1H3
InChIKey
LPVQVNLMFKGGCH-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCCN=C=S
Isomeric Smiles
C(CCCCCCCCCCC)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.9500985
LogD (pH = 7.4)
5.9500985
Log P
5.9500985
Molar Refractivity
72.0107
Polarizability
28.608452
Polar Surface Area
12.36
Rotatable Bonds
11
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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