Molecule

ID:84750

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₃NOS
Molecular Mass
267.34552
Exact Mass
267.07178504
Charge
0
InChI
InChI=1S/C16H13NOS/c18-17-11-4-3-10-16(17)19-12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2
InChIKey
DTUBZUWCDNLZEQ-UHFFFAOYSA-N
Canonic Smiles
[O-][n+]1ccccc1SCc1cccc2c1cccc2
Isomeric Smiles
[n+]1(ccccc1SCc1cccc2ccccc12)[O-]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3406827
LogD (pH = 7.4)
3.3406835
Log P
3.3406835
Molar Refractivity
80.6833
Polarizability
31.96171
Polar Surface Area
25.46
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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