Molecule

ID:16915

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₆N₂O₃
Molecular Mass
212.24564
Exact Mass
212.11609238
Charge
0
InChI
InChI=1S/C10H16N2O3/c13-9(14)5-8-10(15)12-7-4-2-1-3-6(7)11-8/h6-8,11H,1-5H2,(H,12,15)(H,13,14)
InChIKey
JFDHXGDWYYXPNV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1NC2CCCCC2NC1=O
Isomeric Smiles
C12C(NC(=O)C(N1)CC(=O)O)CCCC2
Calculated Properties
JChem
Acid pKa
3.576611
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.551473
LogD (pH = 7.4)
-2.7819798
Log P
-2.5575116
Molar Refractivity
52.1406
Polarizability
21.008139
Polar Surface Area
78.43
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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