Molecule

ID:120312

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₄N₂O₄
Molecular Mass
274.27196
Exact Mass
274.09535694
Charge
0
InChI
InChI=1S/C14H14N2O4/c17-12(18)8-16-10-5-2-1-4-9(10)13(19)15-7-3-6-11(15)14(16)20/h1-2,4-5,11H,3,6-8H2,(H,17,18)/t11-/m0/s1
InChIKey
FLIIRAIAYMHVAC-NSHDSACASA-N
Canonic Smiles
OC(=O)CN1C(=O)[C@@H]2CCCN2C(=O)c2c1cccc2
Isomeric Smiles
N1(C(=O)[C@H]2N(C(=O)c3c1cccc3)CCC2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6577013
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.6695944
LogD (pH = 7.4)
-3.1519463
Log P
0.17008077
Molar Refractivity
69.7205
Polarizability
26.398039
Polar Surface Area
77.92
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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