Molecule

ID:59312

General Information
Structure
MolImage
Molecular Formula
C₉H₁₆N₂O₂
Molecular Mass
184.23554
Exact Mass
184.12117776
Charge
0
InChI
InChI=1S/C9H16N2O2/c1-3-12-9(13-4-2)8-11-7-5-6-10-11/h5-7,9H,3-4,8H2,1-2H3
InChIKey
WQVJLPKFVPEPQS-UHFFFAOYSA-N
Canonic Smiles
CCOC(Cn1cccn1)OCC
Isomeric Smiles
n1(nccc1)CC(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.3465263
LogD (pH = 7.4)
1.3466473
Log P
1.3466488
Molar Refractivity
61.2832
Polarizability
19.503433
Polar Surface Area
36.28
Rotatable Bonds
6
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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