Molecule

ID:8012

General Information
Structure
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Molecular Formula
C₄H₇NOS
Molecular Mass
117.16948
Exact Mass
117.02483485
Charge
0
InChI
InChI=1S/C4H7NOS/c1-6-3-2-5-4-7/h2-3H2,1H3
InChIKey
HTSAVXAFEVUJQE-UHFFFAOYSA-N
Canonic Smiles
COCCN=C=S
Isomeric Smiles
C(=S)=NCCOC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.0226746
LogD (pH = 7.4)
1.0226746
Log P
1.0226746
Molar Refractivity
32.3726
Polarizability
12.665879
Polar Surface Area
21.59
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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