Molecule

ID:18137

General Information
Structure
MolImage
Molecular Formula
C₉H₁₉NO₂
Molecular Mass
173.25266
Exact Mass
173.14157885
Charge
0
InChI
InChI=1S/C9H19NO2/c1-10-5-7-11-8-9-4-2-3-6-12-9/h9-10H,2-8H2,1H3
InChIKey
GBELRBNUQIOXJL-UHFFFAOYSA-N
Canonic Smiles
CNCCOCC1CCCCO1
Isomeric Smiles
O1C(COCCNC)CCCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5718338
LogD (pH = 7.4)
-1.61833
Log P
0.6233037
Molar Refractivity
48.5926
Polarizability
19.48863
Polar Surface Area
30.49
Rotatable Bonds
5
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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