Molecule

ID:80934

General Information
Structure
Molecular Formula
C₁₉H₂₀N₄O₄
Molecular Mass
368.3865
Exact Mass
368.14845514
Charge
0
InChI
InChI=1S/C19H20N4O4/c1-26-15-8-7-12(11-16(15)27-2)9-10-21-18(24)17-22-14-6-4-3-5-13(14)19(25)23(17)20/h3-8,11H,9-10,20H2,1-2H3,(H,21,24)
InChIKey
DJLUJQIDNFFUKE-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNC(=O)c2nc3ccccc3c(=O)n2N)ccc1OC
Isomeric Smiles
n1(c(nc2ccccc2c1=O)C(=O)NCCc1ccc(c(c1)OC)OC)N
Calculated Properties
JChem
Acid pKa
14.039022
H Acceptors
6
H Donor
2
LogD (pH = 5.5)
1.5510216
LogD (pH = 7.4)
1.5510833
Log P
1.5510842
Molar Refractivity
102.6818
Polarizability
37.79903
Polar Surface Area
106.25
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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