Molecule

ID:29274

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₃NS
Molecular Mass
225.39342
Exact Mass
225.15512074
Charge
0
InChI
InChI=1S/C13H23NS/c1-2-3-4-5-6-7-10-14-12-13-9-8-11-15-13/h8-9,11,14H,2-7,10,12H2,1H3
InChIKey
ZSICCSOZVDKTNF-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCNCc1cccs1
Isomeric Smiles
s1c(ccc1)CNCCCCCCCC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3766223
LogD (pH = 7.4)
2.486671
Log P
4.5466495
Molar Refractivity
68.4735
Polarizability
27.09499
Polar Surface Area
12.03
Rotatable Bonds
9
Lipinski's Rule of Five
true
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
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References
Bioactivity
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