Molecule
ID:58329
General Information
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKey
GASLBPLHYRZLLT-GQCTYLIASA-N
Canonic Smiles
O/N=C/c1cccs1
Isomeric Smiles
s1c(ccc1)/C=N/O
Calculated Properties
JChem
Acid pKa
8.898411
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.607905
LogD (pH = 7.4)
1.5945957
Log P
1.6081094
Molar Refractivity
33.3536
Polarizability
12.269118
Polar Surface Area
32.59
Rotatable Bonds
1
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
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Molecule Details
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References
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Bioactivity
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