Molecule

ID:71475

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-11-6-3-9(4-7-11)12-8-2-5-10/h9H,2-8,10H2,1H3
InChIKey
HGEPLOCABPMNDO-UHFFFAOYSA-N
Canonic Smiles
NCCCOC1CCN(CC1)C
Isomeric Smiles
C1N(CCC(C1)OCCCN)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-6.806776
LogD (pH = 7.4)
-4.7491965
Log P
-0.5856685
Molar Refractivity
51.2788
Polarizability
20.324642
Polar Surface Area
38.49
Rotatable Bonds
4
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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