Molecule

ID:74377

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈N₂O₂
Molecular Mass
186.25142
Exact Mass
186.13682783
Charge
0
InChI
InChI=1S/C9H18N2O2/c1(9-12-7-8-13-9)4-11-5-2-10-3-6-11/h9-10H,1-8H2
InChIKey
ZRYJPBASNVAHTC-UHFFFAOYSA-N
Canonic Smiles
N1CCN(CC1)CCC1OCCO1
Isomeric Smiles
O1CCOC1CCN1CCNCC1
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-3.3384821
LogD (pH = 7.4)
-1.9819168
Log P
-0.015053662
Molar Refractivity
50.0509
Polarizability
20.293
Polar Surface Area
33.73
Rotatable Bonds
3
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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