Molecule

ID:19109

General Information
Structure
MolImage
Molecular Formula
C₉H₂₀N₂O
Molecular Mass
172.2679
Exact Mass
172.15756327
Charge
0
InChI
InChI=1S/C9H20N2O/c1-9(2)12-8-7-11-5-3-10-4-6-11/h9-10H,3-8H2,1-2H3
InChIKey
HVZJSUVDFMFZCP-UHFFFAOYSA-N
Canonic Smiles
CC(OCCN1CCNCC1)C
Isomeric Smiles
N1(CCOC(C)C)CCNCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.8475738
LogD (pH = 7.4)
-1.5027549
Log P
0.38064858
Molar Refractivity
50.9544
Polarizability
20.324642
Polar Surface Area
24.5
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
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Molecule Details
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References
Bioactivity
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