Molecule

ID:112782

General Information
Structure
MolImage
Molecular Formula
C₂₁H₁₅N₃
Molecular Mass
309.3639
Exact Mass
309.1265975
Charge
0
InChI
InChI=1S/C21H15N3/c1-4-10-16(11-5-1)19-22-20(17-12-6-2-7-13-17)24-21(23-19)18-14-8-3-9-15-18/h1-15H
InChIKey
HBQUOLGAXBYZGR-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
Isomeric Smiles
c1ccc(cc1)c1nc(nc(n1)c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
6.9589796
LogD (pH = 7.4)
6.958982
Log P
6.958982
Molar Refractivity
128.7549
Polarizability
38.66475
Polar Surface Area
38.67
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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