Molecule

ID:43712

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h8,10H,2-7H2,1H3
InChIKey
IHSUFLCKRIHFGY-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1CCNCC1
Isomeric Smiles
C(=O)(CC1CCNCC1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.6600242
LogD (pH = 7.4)
-2.2029438
Log P
0.57153565
Molar Refractivity
47.1681
Polarizability
18.871552
Polar Surface Area
38.33
Rotatable Bonds
4
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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