Molecule

ID:88705

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆N₂O₂
Molecular Mass
172.22484
Exact Mass
172.12117776
Charge
0
InChI
InChI=1S/C8H16N2O2/c1-3-10(4-2-9-1)7-8-11-5-6-12-8/h8-9H,1-7H2
InChIKey
SVNRBBGYRRYAMG-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CC1OCCO1
Isomeric Smiles
O1CCOC1CN1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.4134357
LogD (pH = 7.4)
-2.097265
Log P
-0.2853568
Molar Refractivity
45.5991
Polarizability
18.456266
Polar Surface Area
33.73
Rotatable Bonds
2
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
References
Bioactivity
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