Molecule

ID:87061

General Information
Structure
MolImage
Molecular Formula
C₅H₉NOS
Molecular Mass
131.19606
Exact Mass
131.04048491
Charge
0
InChI
InChI=1S/C5H9NOS/c1-7-4-2-3-6-5-8/h2-4H2,1H3
InChIKey
UKVFWFDXYBLOLU-UHFFFAOYSA-N
Canonic Smiles
COCCCN=C=S
Isomeric Smiles
S=C=NCCCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0826343
LogD (pH = 7.4)
1.0826343
Log P
1.0826343
Molar Refractivity
37.238
Polarizability
14.507101
Polar Surface Area
21.59
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
References
Bioactivity
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