Molecule

ID:88401

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₄
Molecular Mass
280.3196
Exact Mass
280.14230713
Charge
0
InChI
InChI=1S/C14H20N2O4/c1-18-11-8-12(19-2)16-13(15-11)9-6-4-5-7-10(9)14(17)20-3/h8-10H,4-7H2,1-3H3
InChIKey
GGBJQSWAUXUEPL-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCCCC1c1nc(OC)cc(n1)OC
Isomeric Smiles
n1c(nc(cc1OC)OC)C1C(CCCC1)C(=O)OC
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.7396772
LogD (pH = 7.4)
2.7397904
Log P
2.7397919
Molar Refractivity
73.1113
Polarizability
28.40145
Polar Surface Area
70.54
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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