Molecule

ID:54397

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₂OS
Molecular Mass
242.2963
Exact Mass
242.05138395
Charge
0
InChI
InChI=1S/C13H10N2OS/c1-15-13-11(7-10(8-16)17-13)12(14-15)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
RIBIKAAUZVFDFM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc2c(s1)n(nc2c1ccccc1)C
Isomeric Smiles
c12c(n(nc1c1ccccc1)C)sc(c2)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4337392
LogD (pH = 7.4)
3.4337466
Log P
3.4337466
Molar Refractivity
78.4517
Polarizability
27.269644
Polar Surface Area
34.89
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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