Molecule

ID:105003

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₁N₅
Molecular Mass
379.45704
Exact Mass
379.1796957
Charge
0
InChI
InChI=1S/C24H21N5/c1-2-25-23-17-12-18-8-6-7-11-22(18)24(23)29-28-21-15-13-20(14-16-21)27-26-19-9-4-3-5-10-19/h3-17,25H,2H2,1H3
InChIKey
VKWNTWQXVLKCSG-UHFFFAOYSA-N
Canonic Smiles
CCNc1ccc2c(c1/N=N/c1ccc(cc1)/N=N/c1ccccc1)cccc2
Isomeric Smiles
CCNc1ccc2ccccc2c1/N=N/c1ccc(cc1)/N=N/c1ccccc1
Calculated Properties
JChem
Acid pKa
16.863964
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
7.6040497
LogD (pH = 7.4)
7.6040955
Log P
7.604096
Molar Refractivity
126.0886
Polarizability
45.206963
Polar Surface Area
61.47
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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