Molecule

ID:101481

General Information
Structure
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-7-9-3-4-10(13-9)8-2-1-5-11-6-8/h1-7H
InChIKey
DIQWXENHCURRML-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(s1)c1cccnc1
Isomeric Smiles
c1(sc(cc1)C=O)c1cnccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.9941523
LogD (pH = 7.4)
2.0244844
Log P
2.0248885
Molar Refractivity
52.2953
Polarizability
20.950827
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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