Molecule

ID:11503

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₀N₂O₃
Molecular Mass
264.3202
Exact Mass
264.14739251
Charge
0
InChI
InChI=1S/C14H20N2O3/c1-15-4-6-16(7-5-15)13(17)11-9-2-3-10(8-9)12(11)14(18)19/h2-3,9-12H,4-8H2,1H3,(H,18,19)
InChIKey
UOVMFIQDEOSINK-UHFFFAOYSA-N
Canonic Smiles
CN1CCN(CC1)C(=O)C1C2C=CC(C1C(=O)O)C2
Isomeric Smiles
C1(C(=O)N2CCN(CC2)C)C2C=CC(C1C(=O)O)C2
Calculated Properties
JChem
Acid pKa
4.178834
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.5697367
LogD (pH = 7.4)
-3.038309
Log P
-2.5865693
Molar Refractivity
71.5621
Polarizability
27.366383
Polar Surface Area
60.85
Rotatable Bonds
2
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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