Molecule

ID:40399

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉N₅
Molecular Mass
211.22266
Exact Mass
211.08579531
Charge
0
InChI
InChI=1S/C11H9N5/c12-10-9(8-4-2-1-3-5-8)6-13-11-14-7-15-16(10)11/h1-7H,12H2
InChIKey
REBXMCHIFCICTM-UHFFFAOYSA-N
Canonic Smiles
Nc1c(cnc2n1ncn2)c1ccccc1
Isomeric Smiles
n12c(c(cnc1ncn2)c1ccccc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.1201409
LogD (pH = 7.4)
1.1201429
Log P
1.120143
Molar Refractivity
72.6948
Polarizability
23.602371
Polar Surface Area
69.1
Rotatable Bonds
1
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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