Molecule

ID:52004

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NS
Molecular Mass
185.32956
Exact Mass
185.12382061
Charge
0
InChI
InChI=1S/C10H19NS/c1-2-3-4-5-6-7-8-9-11-10-12/h2-9H2,1H3
InChIKey
GSAYWRFRZHSPQB-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCN=C=S
Isomeric Smiles
C(CCCCCCCC)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.6163926
LogD (pH = 7.4)
4.6163926
Log P
4.6163926
Molar Refractivity
58.2077
Polarizability
23.0678
Polar Surface Area
12.36
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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