Molecule

ID:14550

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₈N₂O₅
Molecular Mass
294.30312
Exact Mass
294.12157169
Charge
0
InChI
InChI=1S/C14H18N2O5/c15-12(17)7-3-5-16(6-4-7)13(18)10-8-1-2-9(21-8)11(10)14(19)20/h1-2,7-11H,3-6H2,(H2,15,17)(H,19,20)
InChIKey
CVEQOORAHGZDBO-UHFFFAOYSA-N
Canonic Smiles
O=C(C1C2C=CC(C1C(=O)O)O2)N1CCC(CC1)C(=O)N
Isomeric Smiles
C1(C2OC(C1C(=O)O)C=C2)C(=O)N1CCC(CC1)C(=O)N
Calculated Properties
JChem
Acid pKa
3.997552
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-2.8423922
LogD (pH = 7.4)
-4.491027
Log P
-1.3305467
Molar Refractivity
72.235
Polarizability
27.865568
Polar Surface Area
109.93
Rotatable Bonds
3
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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