Molecule

ID:85789

General Information
Structure
MolImage
Molecular Formula
C₆H₅NOS
Molecular Mass
139.175
Exact Mass
139.00918479
Charge
0
InChI
InChI=1S/C6H5NOS/c9-5-7-4-6-2-1-3-8-6/h1-3H,4H2
InChIKey
ICXYINJACKJQQV-UHFFFAOYSA-N
Canonic Smiles
S=C=NCc1ccco1
Isomeric Smiles
S=C=NCc1ccco1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8543698
LogD (pH = 7.4)
1.8543698
Log P
1.8543698
Molar Refractivity
38.3326
Polarizability
14.745399
Polar Surface Area
25.5
Rotatable Bonds
2
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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