Molecule

ID:51952

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NS
Molecular Mass
199.35614
Exact Mass
199.13947068
Charge
0
InChI
InChI=1S/C11H21NS/c1-2-3-4-5-6-7-8-9-10-12-11-13/h2-10H2,1H3
InChIKey
HFWWGJSMDPUEFD-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCN=C=S
Isomeric Smiles
C(CCCCCCCCC)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0609612
LogD (pH = 7.4)
5.0609612
Log P
5.0609612
Molar Refractivity
62.8087
Polarizability
24.914661
Polar Surface Area
12.36
Rotatable Bonds
9
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
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References
Bioactivity
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