Molecule

ID:115570

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₆N₄O₄
Molecular Mass
316.31194
Exact Mass
316.11715501
Charge
0
InChI
InChI=1S/C15H16N4O4/c1-3-23-14(21)12-13(20)19-9-8-18(15(19)17-16-12)10-4-6-11(22-2)7-5-10/h4-7H,3,8-9H2,1-2H3
InChIKey
BTUBCOSAVKMXTN-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1nnc2n(c1=O)CCN2c1ccc(cc1)OC
Isomeric Smiles
n12c(nnc(c1=O)C(=O)OCC)N(CC2)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
1.752876
LogD (pH = 7.4)
1.752876
Log P
1.752876
Molar Refractivity
81.9621
Polarizability
30.776203
Polar Surface Area
83.8
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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