Molecule

ID:129012

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂N₂OS
Molecular Mass
255.3236136
Exact Mass
255.07846761
Charge
0
InChI
InChI=1S/C14H12N2OS/c1-15-10-4-2-9(3-5-10)14-16-12-7-6-11(17)8-13(12)18-14/h2-8,15,17H,1H3/i1-1
InChIKey
ZQAQXZBSGZUUNL-BJUDXGSMSA-N
Canonic Smiles
[11CH3]Nc1ccc(cc1)c1nc2c(s1)cc(cc2)O
Isomeric Smiles
[11CH3]Nc1ccc(cc1)c1nc2c(s1)cc(cc2)O
Calculated Properties
JChem
Acid pKa
9.227344
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
3.3012948
LogD (pH = 7.4)
3.301005
Log P
3.3074548
Molar Refractivity
84.405
Polarizability
29.494806
Polar Surface Area
45.15
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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