Molecule

ID:50639

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₆N₂O₃
Molecular Mass
260.28844
Exact Mass
260.11609238
Charge
0
InChI
InChI=1S/C14H16N2O3/c1-9-5-11-10(8-17)7-16(12(11)15-6-9)13(18)19-14(2,3)4/h5-8H,1-4H3
InChIKey
KFSWOXRUBNPFGS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cn(c2c1cc(C)cn2)C(=O)OC(C)(C)C
Isomeric Smiles
c1(cnc2c(c1)c(cn2C(=O)OC(C)(C)C)C=O)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4407725
LogD (pH = 7.4)
2.4407809
Log P
2.440781
Molar Refractivity
71.2649
Polarizability
27.595982
Polar Surface Area
61.19
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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