Molecule

ID:77509

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-7-9-1-2-10(13-9)8-3-5-11-6-4-8/h1-7H
InChIKey
SZPFXOQATCPCET-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1ccncc1
Isomeric Smiles
s1c(ccc1C=O)c1ccncc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.0062234
LogD (pH = 7.4)
2.0246472
Log P
2.0248885
Molar Refractivity
52.2953
Polarizability
20.948069
Polar Surface Area
29.96
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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