Molecule

ID:114410

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁N₅S
Molecular Mass
293.34634
Exact Mass
293.07351638
Charge
0
InChI
InChI=1S/C15H11N5S/c16-11-4-1-3-10(9-11)12-6-7-14-17-18-15(20(14)19-12)13-5-2-8-21-13/h1-9H,16H2
InChIKey
ARJHZHVNINWENX-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1ccc2n(n1)c(nn2)c1cccs1
Isomeric Smiles
n12c(nnc2ccc(n1)c1cc(N)ccc1)c1sccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.6933734
LogD (pH = 7.4)
2.698523
Log P
2.698589
Molar Refractivity
105.4459
Polarizability
32.55058
Polar Surface Area
69.1
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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