Molecule

ID:105517

General Information
Structure
MolImage
Molecular Formula
C₂₇H₂₆Cl₂N₆
Molecular Mass
505.44154
Exact Mass
504.15960022
Charge
0
InChI
InChI=1S/C14H13N3.C13H11N3.2ClH/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17;14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10;;/h2-8H,1H3,(H3,15,16);1-7H,14-15H2;2*1H
InChIKey
QEUYATCJHJUQML-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)[n+](C)c1c(c2)ccc(c1)N.Nc1ccc2c(c1)nc1c(c2)ccc(c1)N.Cl.[Cl-]
Isomeric Smiles
Cl.[Cl-].C[n+]1c2cc(N)ccc2cc2ccc(N)cc12.Nc1ccc2cc3ccc(N)cc3nc2c1
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.8081982
LogD (pH = 7.4)
-2.807895
Log P
-2.8078911
Molar Refractivity
72.1127
Polarizability
28.893906
Polar Surface Area
55.92
Rotatable Bonds
0
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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