Molecule

ID:116051

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-3-12(4-2)10(13)9-5-7-11-8-6-9/h9,11H,3-8H2,1-2H3
InChIKey
HLKAXMBNTHBWKS-UHFFFAOYSA-N
Canonic Smiles
CCN(C(=O)C1CCNCC1)CC
Isomeric Smiles
C(=O)(N(CC)CC)C1CCNCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.9917138
LogD (pH = 7.4)
-2.4072778
Log P
0.2342576
Molar Refractivity
54.1881
Polarizability
21.152966
Polar Surface Area
32.34
Rotatable Bonds
3
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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