Molecule

ID:62291

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O₄
Molecular Mass
240.25574
Exact Mass
240.111007
Charge
0
InChI
InChI=1S/C11H16N2O4/c1-7(14)13-4-2-3-9(13)10(15)12-5-8(6-12)11(16)17/h8-9H,2-6H2,1H3,(H,16,17)
InChIKey
ZEYOHMVXHYBKIL-UHFFFAOYSA-N
Canonic Smiles
O=C(C1CCCN1C(=O)C)N1CC(C1)C(=O)O
Isomeric Smiles
N1(C(=O)C2N(C(=O)C)CCC2)CC(C1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.192554
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.676738
LogD (pH = 7.4)
-4.3895116
Log P
-1.3510014
Molar Refractivity
58.1177
Polarizability
22.60945
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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