Molecule

ID:16626

General Information
Structure
Molecular Formula
C₁₁H₂₀N₂O₃
Molecular Mass
228.2881
Exact Mass
228.14739251
Charge
0
InChI
InChI=1S/C11H20N2O3/c1-3-12(4-2)5-6-13-8-9(11(15)16)7-10(13)14/h9H,3-8H2,1-2H3,(H,15,16)
InChIKey
POJLYTUISVHMDI-UHFFFAOYSA-N
Canonic Smiles
CCN(CCN1CC(CC1=O)C(=O)O)CC
Isomeric Smiles
N1(CC(CC1=O)C(=O)O)CCN(CC)CC
Calculated Properties
JChem
Acid pKa
4.3212795
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.9943557
LogD (pH = 7.4)
-2.9802327
Log P
-2.97545
Molar Refractivity
60.7568
Polarizability
23.549238
Polar Surface Area
60.85
Rotatable Bonds
6
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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