Molecule

ID:15736

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₀N₂O
Molecular Mass
196.2893
Exact Mass
196.15756327
Charge
0
InChI
InChI=1S/C11H20N2O/c14-11(10-4-6-12-7-5-10)13-8-2-1-3-9-13/h10,12H,1-9H2
InChIKey
JFHHGGAQABVJIF-UHFFFAOYSA-N
Canonic Smiles
O=C(N1CCCCC1)C1CCNCC1
Isomeric Smiles
C(=O)(N1CCCCC1)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8549638
LogD (pH = 7.4)
-2.2705276
Log P
0.37100783
Molar Refractivity
56.8329
Polarizability
22.265976
Polar Surface Area
32.34
Rotatable Bonds
1
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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