Molecule

ID:90562

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c7-5-6-1-3-8-4-2-6/h6H,1-4H2
InChIKey
DQKVZWAEWJUKAX-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCSCC1
Isomeric Smiles
S1CCC(CC1)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.147083
LogD (pH = 7.4)
1.147083
Log P
1.147083
Molar Refractivity
36.3513
Polarizability
13.954433
Polar Surface Area
23.79
Rotatable Bonds
0
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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