Molecule

ID:37798

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₀N₄O₄
Molecular Mass
380.3972
Exact Mass
380.14845514
Charge
0
InChI
InChI=1S/C20H20N4O4/c1-13-5-3-4-6-16(13)21-20(27)24(2)12-11-17-22-18(28-23-17)14-7-9-15(10-8-14)19(25)26/h3-10H,11-12H2,1-2H3,(H,21,27)(H,25,26)
InChIKey
GXOBAAYJDLZICZ-UHFFFAOYSA-N
Canonic Smiles
O=C(N(CCc1noc(n1)c1ccc(cc1)C(=O)O)C)Nc1ccccc1C
Isomeric Smiles
n1oc(nc1CCN(C)C(=O)Nc1c(cccc1)C)c1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6828866
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
2.0182557
LogD (pH = 7.4)
0.48616296
Log P
3.8346875
Molar Refractivity
116.2289
Polarizability
39.127632
Polar Surface Area
108.56
Rotatable Bonds
6
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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