Molecule

ID:37846

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₀N₂O
Molecular Mass
184.2786
Exact Mass
184.15756327
Charge
0
InChI
InChI=1S/C10H20N2O/c1-12(10-3-2-8-13-10)9-4-6-11-7-5-9/h9-11H,2-8H2,1H3
InChIKey
SHFGSEDSIQKGKS-UHFFFAOYSA-N
Canonic Smiles
CN(C1CCCO1)C1CCNCC1
Isomeric Smiles
C1NCCC(C1)N(C)C1CCCO1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.940411
LogD (pH = 7.4)
-2.4497266
Log P
0.28992623
Molar Refractivity
53.577
Polarizability
21.43625
Polar Surface Area
24.5
Rotatable Bonds
2
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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