Molecule

ID:62420

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O₄
Molecular Mass
264.27714
Exact Mass
264.111007
Charge
0
InChI
InChI=1S/C13H16N2O4/c16-11-5-4-10(13(18)19)8-15(11)9-12(17)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7,9H2,(H,18,19)
InChIKey
RBMDHYRPIUPRFC-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)Cn1cc(ccc1=O)C(=O)O
Isomeric Smiles
c1(cn(c(=O)cc1)CC(=O)N1CCCCC1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.5413997
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.3074887
LogD (pH = 7.4)
-3.7182527
Log P
-0.3556492
Molar Refractivity
68.7834
Polarizability
25.752014
Polar Surface Area
77.92
Rotatable Bonds
3
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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