Molecule
ID:120922
General Information
Molecular Formula
C₁₃H₁₄N₂O₄
Molecular Mass
262.26126
Exact Mass
262.09535694
Charge
0
InChI
InChI=1S/C13H14N2O4/c16-11(17)4-2-1-3-7-15-12(18)9-5-6-14-8-10(9)13(15)19/h5-6,8H,1-4,7H2,(H,16,17)
InChIKey
SVIBBVYWRAQSOF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CCCCCN1C(=O)c2c(C1=O)cncc2
Isomeric Smiles
N1(C(=O)c2c(C1=O)ccnc2)CCCCCC(=O)O
Calculated Properties
JChem
Acid pKa
3.5147417
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
-1.4062918
LogD (pH = 7.4)
-2.7852159
Log P
0.43430173
Molar Refractivity
66.7956
Polarizability
24.911213
Polar Surface Area
87.57
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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