Molecule

ID:44127

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₆N₄O₂
Molecular Mass
354.44604
Exact Mass
354.20557609
Charge
0
InChI
InChI=1S/C20H26N4O2/c21-22-20(25)18-6-8-19(9-7-18)26-15-14-23-10-12-24(13-11-23)16-17-4-2-1-3-5-17/h1-9H,10-16,21H2,(H,22,25)
InChIKey
ZDQDJHRVHLTWOB-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1ccc(cc1)OCCN1CCN(CC1)Cc1ccccc1
Isomeric Smiles
C(=O)(c1ccc(cc1)OCCN1CCN(Cc2ccccc2)CC1)NN
Calculated Properties
JChem
Acid pKa
14.504795
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-0.68079907
LogD (pH = 7.4)
1.0946968
Log P
1.9599763
Molar Refractivity
104.7655
Polarizability
40.071335
Polar Surface Area
70.83
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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