Molecule

ID:104453

General Information
Structure
MolImage
Molecular Formula
C₂₆H₂₄N₄O
Molecular Mass
408.49496
Exact Mass
408.19501141
Charge
0
InChI
InChI=1S/C26H24N4O/c1-16-9-10-17(2)22(13-16)27-28-23-14-19(4)24(15-18(23)3)29-30-26-21-8-6-5-7-20(21)11-12-25(26)31/h5-15,31H,1-4H3
InChIKey
NPGIHFRTRXVWOY-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(c(c1)N=Nc1cc(C)c(cc1C)N=Nc1c(O)ccc2c1cccc2)C
Isomeric Smiles
Cc1cc(/N=N/c2cc(C)c(cc2C)/N=N/c2c3ccccc3ccc2O)c(C)cc1
Calculated Properties
JChem
LogD (pH = 7.4)
9.52
LogD (pH = 5.5)
9.52
Log P
9.52
Rotatable Bonds
4
H Donor
1
H Acceptors
5
Lipinski's Rule of Five
false
Acid pKa
11.34
Polar Surface Area
69.67
Polarizability
47.52
Molar Refractivity
133.29
LOG S
-8.22
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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