Molecule

ID:52016

General Information
Structure
Molecular Formula
C₆H₉NOS
Molecular Mass
143.20676
Exact Mass
143.04048491
Charge
0
InChI
InChI=1S/C6H9NOS/c9-5-7-4-6-2-1-3-8-6/h6H,1-4H2
InChIKey
CSFIFTGMGITVRE-UHFFFAOYSA-N
Canonic Smiles
S=C=NCC1CCCO1
Isomeric Smiles
C1CC(OC1)CN=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.488239
LogD (pH = 7.4)
1.488239
Log P
1.488239
Molar Refractivity
39.5838
Polarizability
15.620298
Polar Surface Area
21.59
Rotatable Bonds
2
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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