Molecule

ID:89744

General Information
Structure
MolImage
Molecular Formula
C₈H₁₃NS
Molecular Mass
155.26052
Exact Mass
155.07687042
Charge
0
InChI
InChI=1S/C8H13NS/c1-6-9-7(5-10-6)8(2,3)4/h5H,1-4H3
InChIKey
IHLQWPDUYYFCSQ-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)C(C)(C)C
Isomeric Smiles
n1c(C)scc1C(C)(C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6837897
LogD (pH = 7.4)
2.685982
Log P
2.68601
Molar Refractivity
44.001
Polarizability
17.139715
Polar Surface Area
12.89
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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