Molecule

ID:123218

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c1-5-20-15(18)11-9-16-13-10(14(11)17(2)3)7-6-8-12(13)19-4/h6-9H,5H2,1-4H3
InChIKey
NODYUZRYQIMUNU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnc2c(c1N(C)C)cccc2OC
Isomeric Smiles
c1(c(c2c(nc1)c(OC)ccc2)N(C)C)C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.3610408
LogD (pH = 7.4)
2.440435
Log P
2.441558
Molar Refractivity
77.645
Polarizability
30.545073
Polar Surface Area
51.66
Rotatable Bonds
5
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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