Molecule

ID:117894

General Information
Structure
MolImage
Molecular Formula
C₅H₃NOS
Molecular Mass
125.14842
Exact Mass
124.99353472
Charge
0
InChI
InChI=1S/C5H3NOS/c7-4-6-5-2-1-3-8-5/h1-3H
InChIKey
QVLWPBIUVXZGRK-UHFFFAOYSA-N
Canonic Smiles
O=C=Nc1cccs1
Isomeric Smiles
c1(N=C=O)sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8292394
LogD (pH = 7.4)
1.8292394
Log P
1.8292394
Molar Refractivity
31.3957
Polarizability
11.373171
Polar Surface Area
29.43
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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