Molecule

ID:29833

General Information
Structure
MolImage
Molecular Formula
C₆H₉NS
Molecular Mass
127.20736
Exact Mass
127.04557029
Charge
0
InChI
InChI=1S/C6H9NS/c7-5-8-6-3-1-2-4-6/h6H,1-4H2
InChIKey
ZTZNTHBAUFZQGQ-UHFFFAOYSA-N
Canonic Smiles
N#CSC1CCCC1
Isomeric Smiles
C1(CCCC1)SC#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.039908
LogD (pH = 7.4)
2.039908
Log P
2.039908
Molar Refractivity
36.5098
Polarizability
13.99859
Polar Surface Area
23.79
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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