Molecule

ID:41355

General Information
Structure
Molecular Formula
C₁₇H₁₄N₂OS
Molecular Mass
294.37086
Exact Mass
294.08268408
Charge
0
InChI
InChI=1S/C17H14N2OS/c1-19-17(21-14-10-6-3-7-11-14)15(12-20)16(18-19)13-8-4-2-5-9-13/h2-12H,1H3
InChIKey
JUGFWSXDKVZZRS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nn(c1Sc1ccccc1)C)c1ccccc1
Isomeric Smiles
c1(c(c(nn1C)c1ccccc1)C=O)Sc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.424709
LogD (pH = 7.4)
4.424724
Log P
4.4247246
Molar Refractivity
98.247
Polarizability
34.434185
Polar Surface Area
34.89
Rotatable Bonds
4
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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