Molecule

ID:83134

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c6-5(8)4-1-2-7-3-4/h1-3H,(H2,6,8)
InChIKey
FHPWEMZQNZDEMS-UHFFFAOYSA-N
Canonic Smiles
NC(=S)c1cocc1
Isomeric Smiles
S=C(c1cocc1)N
Calculated Properties
JChem
Acid pKa
11.552921
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
0.8540016
LogD (pH = 7.4)
0.85402846
Log P
0.8540012
Molar Refractivity
35.6407
Polarizability
13.396944
Polar Surface Area
39.16
Rotatable Bonds
1
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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