Molecule

ID:91262

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₂
Molecular Mass
184.23554
Exact Mass
184.12117776
Charge
0
InChI
InChI=1S/C9H16N2O2/c12-9(8-2-1-7-13-8)11-5-3-10-4-6-11/h8,10H,1-7H2
InChIKey
UKESBLFBQANJHH-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCNCC1)C1CCCO1
Isomeric Smiles
O1C(CCC1)C(=O)N1CCNCC1
Calculated Properties
JChem
Acid pKa
19.929665
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.9500055
LogD (pH = 7.4)
-1.2359744
Log P
-0.67523235
Molar Refractivity
48.7544
Polarizability
19.298449
Polar Surface Area
41.57
Rotatable Bonds
1
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
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References
Bioactivity
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