Molecule

ID:125293

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NS
Molecular Mass
143.24982
Exact Mass
143.07687042
Charge
0
InChI
InChI=1S/C7H13NS/c1-3-6(2)7-8-4-5-9-7/h6H,3-5H2,1-2H3
InChIKey
SAWWKXMIPYUIBW-UHFFFAOYSA-N
Canonic Smiles
CCC(C1=NCCS1)C
Isomeric Smiles
CCC(C)C1=NCCS1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6385636
LogD (pH = 7.4)
2.157442
Log P
2.1703959
Molar Refractivity
42.6989
Polarizability
16.709826
Polar Surface Area
12.36
Rotatable Bonds
2
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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