Molecule

ID:89837

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₀N₆
Molecular Mass
250.2587
Exact Mass
250.09669435
Charge
0
InChI
InChI=1S/C13H10N6/c1-19-11-7-10(9-5-3-2-4-6-9)8-15-12(11)16-13(19)17-18-14/h2-8H,1H3
InChIKey
FKTHQEHUMZTLTL-UHFFFAOYSA-N
Canonic Smiles
[N-]=[N+]=Nc1nc2c(n1C)cc(cn2)c1ccccc1
Isomeric Smiles
N(=[N+]=[N-])c1n(c2c(ncc(c2)c2ccccc2)n1)C
Calculated Properties
JChem
Acid pKa
4.194932
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.2344232
LogD (pH = 7.4)
3.2283928
Log P
3.3423572
Molar Refractivity
74.1782
Polarizability
28.056026
Polar Surface Area
60.14
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
References
Bioactivity
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