Molecule

ID:58146

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-10-7-9-3-4-11(8-9)5-6-12-2/h9-10H,3-8H2,1-2H3
InChIKey
NSEJMPYQHVGIAC-UHFFFAOYSA-N
Canonic Smiles
CNCC1CCN(C1)CCOC
Isomeric Smiles
C1C(CCN1CCOC)CNC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-5.9249167
LogD (pH = 7.4)
-3.8572335
Log P
-0.15545905
Molar Refractivity
51.3062
Polarizability
20.324642
Polar Surface Area
24.5
Rotatable Bonds
5
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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