Molecule

ID:76675

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₃S
Molecular Mass
215.27426
Exact Mass
215.0517183
Charge
0
InChI
InChI=1S/C11H9N3S/c12-5-9-10(13)7-4-6-2-1-3-8(6)14-11(7)15-9/h4H,1-3,13H2
InChIKey
BWCIUNYHYANOPV-UHFFFAOYSA-N
Canonic Smiles
N#Cc1sc2c(c1N)cc1c(n2)CCC1
Isomeric Smiles
s1c2c(cc3c(n2)CCC3)c(c1C#N)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0402703
LogD (pH = 7.4)
2.0402713
Log P
2.0402713
Molar Refractivity
59.8573
Polarizability
22.54231
Polar Surface Area
62.7
Rotatable Bonds
0
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
No Data Available
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Molecule Details
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References
Bioactivity
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