Molecule

ID:58976

General Information
Structure
MolImage
Molecular Formula
C₆H₅NOS
Molecular Mass
139.175
Exact Mass
139.00918479
Charge
0
InChI
InChI=1S/C6H5NOS/c8-5-7-4-6-2-1-3-9-6/h1-3H,4H2
InChIKey
CDDYYRHLZPJLPD-UHFFFAOYSA-N
Canonic Smiles
O=C=NCc1cccs1
Isomeric Smiles
C(=NCc1sccc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5947349
LogD (pH = 7.4)
1.5947349
Log P
1.5947349
Molar Refractivity
34.8407
Polarizability
13.198962
Polar Surface Area
29.43
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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