Molecule

ID:14142

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₄N₂O₄
Molecular Mass
226.22916
Exact Mass
226.09535694
Charge
0
InChI
InChI=1S/C10H14N2O4/c1-6-9(12-10(16)11-6)7(13)4-2-3-5-8(14)15/h2-5H2,1H3,(H,14,15)(H2,11,12,16)
InChIKey
QOKBZTDZIZMTMS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1C
Isomeric Smiles
c1([nH]c(=O)[nH]c1C)C(=O)CCCCC(=O)O
Calculated Properties
JChem
Acid pKa
4.2904553
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-0.72805446
LogD (pH = 7.4)
-2.4663062
Log P
0.50544965
Molar Refractivity
57.1154
Polarizability
21.241985
Polar Surface Area
95.5
Rotatable Bonds
6
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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