Molecule

ID:84776

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NOS
Molecular Mass
133.21194
Exact Mass
133.05613498
Charge
0
InChI
InChI=1S/C5H11NOS/c1-4(6-7)5(2)8-3/h5,7H,1-3H3
InChIKey
WDQAHRJGGIAFLZ-UHFFFAOYSA-N
Canonic Smiles
CSC(C(=NO)C)C
Isomeric Smiles
N(=C(\C(SC)C)/C)/O
Calculated Properties
JChem
LogD (pH = 7.4)
1.30
LogD (pH = 5.5)
1.30
Log P
1.30
Rotatable Bonds
2
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
10.15
Polar Surface Area
32.59
Polarizability
14.32
Molar Refractivity
36.99
LOG S
-0.71
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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