Molecule

ID:65402

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₃
Molecular Mass
224.25634
Exact Mass
224.11609238
Charge
0
InChI
InChI=1S/C11H16N2O3/c1-3-5-7-13-8-6-12-10(13)9(14)11(15)16-4-2/h6,8H,3-5,7H2,1-2H3
InChIKey
AJDXFSYWTLRZQP-UHFFFAOYSA-N
Canonic Smiles
CCCCn1ccnc1C(=O)C(=O)OCC
Isomeric Smiles
n1(c(ncc1)C(=O)C(=O)OCC)CCCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0297287
LogD (pH = 7.4)
2.0331292
Log P
2.0331728
Molar Refractivity
58.9757
Polarizability
22.664644
Polar Surface Area
61.19
Rotatable Bonds
7
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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