Molecule

ID:79007

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₃N₃
Molecular Mass
211.26242
Exact Mass
211.11094743
Charge
0
InChI
InChI=1S/C13H13N3/c1-10-9-12(7-8-13(10)14)16-15-11-5-3-2-4-6-11/h2-9H,14H2,1H3
InChIKey
ZQNCDLBRYKNRBK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1C)/N=N/c1ccccc1
Isomeric Smiles
N(=N\c1ccccc1)/c1ccc(c(c1)C)N
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
4.0624046
LogD (pH = 7.4)
4.0636196
Log P
4.063635
Molar Refractivity
70.1186
Polarizability
24.482939
Polar Surface Area
50.74
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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