Molecule
ID:121590
General Information
Molecular Formula
C₇H₁₃NOS
Molecular Mass
159.24922
Exact Mass
159.07178504
Charge
0
InChI
InChI=1S/C7H13NOS/c1-7(2)9-5-3-4-8-6-10/h7H,3-5H2,1-2H3
InChIKey
UKKBSXMJKOPODB-UHFFFAOYSA-N
Canonic Smiles
S=C=NCCCOC(C)C
Isomeric Smiles
C(=S)=NCCCOC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8560172
LogD (pH = 7.4)
1.8560172
Log P
1.8560172
Molar Refractivity
46.4054
Polarizability
18.192875
Polar Surface Area
21.59
Rotatable Bonds
5
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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