Molecule

ID:24356

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₉NO₃
Molecular Mass
201.26276
Exact Mass
201.13649347
Charge
0
InChI
InChI=1S/C10H19NO3/c1-2-13-10(12)5-6-11-8-9-4-3-7-14-9/h9,11H,2-8H2,1H3
InChIKey
RJHXXXSWERTHMC-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CCNCC1CCCO1
Isomeric Smiles
C(=O)(CCNCC1OCCC1)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.6751623
LogD (pH = 7.4)
-1.3715324
Log P
0.4434086
Molar Refractivity
53.2498
Polarizability
21.421143
Polar Surface Area
47.56
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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