Molecule

ID:130919

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₆N₄O₂
Molecular Mass
342.43534
Exact Mass
342.20557609
Charge
0
InChI
InChI=1S/C19H26N4O2/c1-13(22-19(25)17(21)8-4-5-11-20)18(24)23-16-10-9-14-6-2-3-7-15(14)12-16/h2-3,6-7,9-10,12-13,17H,4-5,8,11,20-21H2,1H3,(H,22,25)(H,23,24)
InChIKey
MNETYPHAKOATDA-UHFFFAOYSA-N
Canonic Smiles
NCCCCC(C(=O)NC(C(=O)Nc1ccc2c(c1)cccc2)C)N
Isomeric Smiles
CC(C(=O)Nc1ccc2ccccc2c1)NC(=O)C(CCCCN)N
Calculated Properties
JChem
Acid pKa
12.717576
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.3402033
LogD (pH = 7.4)
-2.2370765
Log P
1.1766477
Molar Refractivity
99.8344
Polarizability
39.880783
Polar Surface Area
110.24
Rotatable Bonds
8
Lipinski's Rule of Five
true
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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