Molecule

ID:11173

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-11-5-3-4-10(8-11)12-9-16-7-2-1-6-13(16)15-12/h1-9H,14H2
InChIKey
NUVDPCZHQLYLPU-UHFFFAOYSA-N
Canonic Smiles
Nc1cccc(c1)c1nc2n(c1)cccc2
Isomeric Smiles
n1c(cn2c1cccc2)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5934473
LogD (pH = 7.4)
1.9562562
Log P
1.9636991
Molar Refractivity
65.401
Polarizability
25.447062
Polar Surface Area
43.32
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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