Molecule

ID:35524

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂OS
Molecular Mass
254.307
Exact Mass
254.05138395
Charge
0
InChI
InChI=1S/C14H10N2OS/c17-10-11-9-16(12-5-2-1-3-6-12)15-14(11)13-7-4-8-18-13/h1-10H
InChIKey
HVDFEBGVPKLCCY-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(nc1c1cccs1)c1ccccc1
Isomeric Smiles
n1c(c(cn1c1ccccc1)C=O)c1sccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.5817878
LogD (pH = 7.4)
3.5817904
Log P
3.5817904
Molar Refractivity
72.6578
Polarizability
28.9458
Polar Surface Area
34.89
Rotatable Bonds
3
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
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Molecule Details
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References
Bioactivity
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