Molecule

ID:9720

General Information
Structure
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1-5-12-6-2-10(1)9-11-3-7-13-8-4-11/h1-9H2
InChIKey
MIFZZKZNMWTHJK-UHFFFAOYSA-N
Canonic Smiles
O1CCN(CC1)CN1CCOCC1
Isomeric Smiles
N1(CN2CCOCC2)CCOCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
-0.5470444
LogD (pH = 7.4)
-0.12719314
Log P
-0.11808597
Molar Refractivity
50.9657
Polarizability
20.293
Polar Surface Area
24.94
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
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References
Bioactivity
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