Molecule

ID:52359

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅NS
Molecular Mass
169.2871
Exact Mass
169.09252049
Charge
0
InChI
InChI=1S/C9H15NS/c11-8-10-9-6-4-2-1-3-5-7-9/h9H,1-7H2
InChIKey
MHPKAOOPCYGVPY-UHFFFAOYSA-N
Canonic Smiles
S=C=NC1CCCCCCC1
Isomeric Smiles
C1(CCCCCCC1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7580578
LogD (pH = 7.4)
3.7580578
Log P
3.7580578
Molar Refractivity
51.5453
Polarizability
20.480062
Polar Surface Area
12.36
Rotatable Bonds
1
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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