Molecule

ID:24780

General Information
Structure
MolImage
Molecular Formula
C₉H₁₃NS
Molecular Mass
167.27122
Exact Mass
167.07687042
Charge
0
InChI
InChI=1S/C9H13NS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChIKey
PNCWHIAZZSDHPU-UHFFFAOYSA-N
Canonic Smiles
NCCSCc1ccccc1
Isomeric Smiles
S(Cc1ccccc1)CCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.2174778
LogD (pH = 7.4)
-0.44817704
Log P
1.7876054
Molar Refractivity
51.7065
Polarizability
20.483002
Polar Surface Area
26.02
Rotatable Bonds
4
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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