Molecule

ID:69504

General Information
Structure
MolImage
Molecular Formula
C₉H₁₇NO₂
Molecular Mass
171.23678
Exact Mass
171.12592879
Charge
0
InChI
InChI=1S/C9H17NO2/c1-3-12-9(11)8-4-6-10(2)7-5-8/h8H,3-7H2,1-2H3
InChIKey
JWXOOQCMGJBSML-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C
Isomeric Smiles
N1(CCC(CC1)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.940124
LogD (pH = 7.4)
-0.16771603
Log P
0.76598215
Molar Refractivity
47.8877
Polarizability
18.871552
Polar Surface Area
29.54
Rotatable Bonds
3
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
References
Bioactivity
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