Molecule
ID:85449
General Information
Molecular Formula
C₇H₁₃NS₂
Molecular Mass
175.31482
Exact Mass
175.04894142
Charge
0
InChI
InChI=1S/C7H13NS2/c9-7(10)8-5-3-1-2-4-6-8/h1-6H2,(H,9,10)
InChIKey
IULVMSRZVAOLEB-UHFFFAOYSA-N
Canonic Smiles
SC(=S)N1CCCCCC1
Isomeric Smiles
N1(C(=S)S)CCCCCC1
Calculated Properties
JChem
Acid pKa
1.99985
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
1.4475644
LogD (pH = 7.4)
1.44582
Log P
2.5887797
Molar Refractivity
52.2615
Polarizability
20.56863
Polar Surface Area
3.24
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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