Molecule

ID:69562

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-3-12-8(11)9(2)4-6-10-7-5-9/h10H,3-7H2,1-2H3
InChIKey
YWXSWDQLJWHKMW-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1(C)CCNCC1
Isomeric Smiles
N1CCC(CC1)(C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.2507632
LogD (pH = 7.4)
-1.2573819
Log P
0.9389485
Molar Refractivity
47.094
Polarizability
18.871552
Polar Surface Area
38.33
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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