Molecule

ID:34878

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₄N₄O₃
Molecular Mass
356.41886
Exact Mass
356.18484065
Charge
0
InChI
InChI=1S/C19H24N4O3/c1-13-11-17(23-9-7-22(2)8-10-23)21-16-4-3-14(12-15(13)16)20-18(24)5-6-19(25)26/h3-4,11-12H,5-10H2,1-2H3,(H,20,24)(H,25,26)
InChIKey
IBCIUZOIGXKYSG-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)c1cc(C)c2c(n1)ccc(c2)NC(=O)CCC(=O)O
Isomeric Smiles
c1(nc2c(c(c1)C)cc(NC(=O)CCC(=O)O)cc2)N1CCN(CC1)C
Calculated Properties
JChem
Acid pKa
3.7185905
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
-0.7007214
LogD (pH = 7.4)
-0.57720035
Log P
-0.5073484
Molar Refractivity
101.569
Polarizability
38.913612
Polar Surface Area
85.77
Rotatable Bonds
5
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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