Molecule

ID:11517

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₄N₂O₄
Molecular Mass
262.26126
Exact Mass
262.09535694
Charge
0
InChI
InChI=1S/C13H14N2O4/c16-11-8-15(12(17)6-3-7-13(18)19)10-5-2-1-4-9(10)14-11/h1-2,4-5H,3,6-8H2,(H,14,16)(H,18,19)
InChIKey
PYBOGZOEUKPEOT-UHFFFAOYSA-N
Canonic Smiles
O=C1Nc2ccccc2N(C1)C(=O)CCCC(=O)O
Isomeric Smiles
N1(c2c(NC(=O)C1)cccc2)C(=O)CCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.960475
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.2639713
LogD (pH = 7.4)
-2.897812
Log P
0.28349304
Molar Refractivity
67.8351
Polarizability
25.476578
Polar Surface Area
86.71
Rotatable Bonds
4
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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