Molecule

ID:82487

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₉N₃O₄
Molecular Mass
341.36116
Exact Mass
341.1375561
Charge
0
InChI
InChI=1S/C18H19N3O4/c1-5-24-18(22)14-10-19-17-15(11(2)20-21(17)3)16(14)25-13-8-6-12(23-4)7-9-13/h6-10H,5H2,1-4H3
InChIKey
ZXFKIPRYQOGRCX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1Oc1ccc(cc1)OC)c(C)nn2C
Isomeric Smiles
n1c(c2c(ncc(c2Oc2ccc(cc2)OC)C(=O)OCC)n1C)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.4039376
LogD (pH = 7.4)
2.404043
Log P
2.4040444
Molar Refractivity
103.1542
Polarizability
35.73709
Polar Surface Area
75.47
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
No Data Available
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Molecule Details
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References
Bioactivity
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