Molecule
ID:79932
General Information
Molecular Formula
C₅H₉NOS
Molecular Mass
131.19606
Exact Mass
131.04048491
Charge
0
InChI
InChI=1S/C5H9NOS/c7-6-5-2-1-3-8-4-5/h7H,1-4H2
InChIKey
DOXKWMJZWDDLLX-UHFFFAOYSA-N
Canonic Smiles
O/N=C/1\CCCSC1
Isomeric Smiles
N(=C\1/CSCCC1)\O
Calculated Properties
JChem
Acid pKa
11.3617935
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8524397
LogD (pH = 7.4)
0.8525105
Log P
0.8525592
Molar Refractivity
35.4412
Polarizability
13.702338
Polar Surface Area
32.59
Rotatable Bonds
0
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
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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