Molecule

ID:83703

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₁N₃
Molecular Mass
209.24654
Exact Mass
209.09529737
Charge
0
InChI
InChI=1S/C13H11N3/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)16(13)15/h1-8,14H,15H2
InChIKey
MCXVODRTRMZXFQ-UHFFFAOYSA-N
Canonic Smiles
N=c1c2ccccc2c2c(n1N)cccc2
Isomeric Smiles
n1(c(=N)c2ccccc2c2c1cccc2)N
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.6417056
LogD (pH = 7.4)
2.0515137
Log P
2.2532194
Molar Refractivity
86.4599
Polarizability
25.746899
Polar Surface Area
53.11
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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