Molecule

ID:112703

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NS
Molecular Mass
171.30298
Exact Mass
171.10817055
Charge
0
InChI
InChI=1S/C9H17NS/c1-2-3-4-5-6-7-8-11-9-10/h2-8H2,1H3
InChIKey
FGVYCHQRRXDRAR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCSC#N
Isomeric Smiles
CCCCCCCCSC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.8911579
LogD (pH = 7.4)
3.8911579
Log P
3.8911579
Molar Refractivity
52.325
Polarizability
20.260237
Polar Surface Area
23.79
Rotatable Bonds
7
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
References
Bioactivity
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