Molecule

ID:114039

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c1-10-5-7-11(8-6-10)13-14(15)17-9-3-2-4-12(17)16-13/h2-9H,15H2,1H3
InChIKey
TWHFPRWXPPMWOI-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1)c1nc2n(c1N)cccc2
Isomeric Smiles
n12c(c(nc1cccc2)c1ccc(cc1)C)N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3258045
LogD (pH = 7.4)
2.4209714
Log P
2.5664115
Molar Refractivity
69.6955
Polarizability
27.201084
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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