Molecule

ID:129643

General Information
Structure
Molecular Formula
C₁₉H₂₆N₄O₂
Molecular Mass
342.43534
Exact Mass
342.20557609
Charge
0
InChI
InChI=1S/C19H26N4O2/c20-13-15-9-11-17(12-10-15)23-19(21-14-18(24)25)22-16-7-5-3-1-2-4-6-8-16/h9-12,16H,1-8,14H2,(H,24,25)(H2,21,22,23)
InChIKey
LBDVSPIQWSQRLB-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)/N=C(/NC1CCCCCCCC1)\NCC(=O)O
Isomeric Smiles
OC(=O)CN/C(=N\c1ccc(C#N)cc1)/NC1CCCCCCCC1
Calculated Properties
JChem
Acid pKa
2.9753373
H Acceptors
6
H Donor
3
LogD (pH = 5.5)
2.821067
LogD (pH = 7.4)
2.8220267
Log P
2.8220687
Molar Refractivity
98.305
Polarizability
37.020287
Polar Surface Area
97.51
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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