Molecule

ID:2594

General Information
Structure
MolImage
Molecular Formula
C₂₄H₂₀N₄
Molecular Mass
364.4424
Exact Mass
364.16879666
Charge
0
InChI
InChI=1S/C24H20N4/c25-17-23-24(21-13-7-8-14-22(21)27-28-23)26-16-15-20(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-16H,17,25H2/b26-16+
InChIKey
CUWRVIIPSSUUDJ-WGOQTCKBSA-N
Canonic Smiles
NCc1nnc2c(c1/N=C/C=C(/c1ccccc1)\c1ccccc1)cccc2
Isomeric Smiles
NCc1nnc2ccccc2c1/N=C/C=C(/c1ccccc1)\c1ccccc1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8154598
LogD (pH = 7.4)
3.4851573
Log P
3.9575522
Molar Refractivity
126.1686
Polarizability
44.826008
Polar Surface Area
64.16
Rotatable Bonds
5
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
4.17
LOG S
-6.19
Solubility (Water)
2.33e-04 g/l
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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