Molecule

ID:105051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₈N₂O₃
Molecular Mass
214.26152
Exact Mass
214.13174245
Charge
0
InChI
InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)
InChIKey
GIAZPLMMQOERPN-UHFFFAOYSA-N
Canonic Smiles
CC(C(C(=O)N1CCCC1C(=O)O)N)C
Isomeric Smiles
CC(C)C(N)C(=O)N1CCCC1C(=O)O
Calculated Properties
JChem
Acid pKa
3.8554103
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.2243607
LogD (pH = 7.4)
-2.2468233
Log P
-2.2197342
Molar Refractivity
54.4794
Polarizability
21.71929
Polar Surface Area
83.63
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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