Molecule

ID:30480

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-10-5-3-8(4-6-10)11(2)7-9(12)13/h8H,3-7H2,1-2H3,(H,12,13)
InChIKey
JOQKJDWQPSADLW-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCN(CC1)C)CC(=O)O
Isomeric Smiles
N(C1CCN(CC1)C)(CC(=O)O)C
Calculated Properties
JChem
Acid pKa
2.0074537
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-4.8073454
LogD (pH = 7.4)
-3.2777421
Log P
-3.0534778
Molar Refractivity
51.5238
Polarizability
20.150518
Polar Surface Area
43.78
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
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Molecule Details
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References
Bioactivity
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