Molecule

ID:129754

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₈N₂O₃
Molecular Mass
274.31502
Exact Mass
274.13174245
Charge
0
InChI
InChI=1S/C15H18N2O3/c1-3-8-16-15(19)12-9-17(10-20-2)13-7-5-4-6-11(13)14(12)18/h4-7,9H,3,8,10H2,1-2H3,(H,16,19)
InChIKey
RIPDGZHPNKQLDC-UHFFFAOYSA-N
Canonic Smiles
CCCNC(=O)c1cn(COC)c2c(c1=O)cccc2
Isomeric Smiles
CCCNC(=O)c1cn(c2ccccc2c1=O)COC
Calculated Properties
JChem
Acid pKa
15.148568
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.7322913
LogD (pH = 7.4)
1.7322947
Log P
1.7322947
Molar Refractivity
77.1723
Polarizability
29.026184
Polar Surface Area
58.64
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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