Molecule

ID:31344

General Information
Structure
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c1-10-3-2-8-17-9-13(16-14(10)17)11-4-6-12(15)7-5-11/h2-9H,15H2,1H3
InChIKey
GWBJQNMMOJBUIU-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)c1cn2c(n1)c(C)ccc2
Isomeric Smiles
n1c2n(cc1c1ccc(N)cc1)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9510555
LogD (pH = 7.4)
2.4636564
Log P
2.4771206
Molar Refractivity
70.4422
Polarizability
27.20782
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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