Molecule

ID:31296

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃N₃
Molecular Mass
223.27312
Exact Mass
223.11094743
Charge
0
InChI
InChI=1S/C14H13N3/c1-10-5-6-17-9-13(16-14(17)7-10)11-3-2-4-12(15)8-11/h2-9H,15H2,1H3
InChIKey
CWUVBFCZNNSLPY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccn2c(c1)nc(c2)c1cccc(c1)N
Isomeric Smiles
c12nc(cn1ccc(c2)C)c1cc(N)ccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0904212
LogD (pH = 7.4)
2.4691687
Log P
2.4771206
Molar Refractivity
70.4422
Polarizability
27.212488
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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