Molecule

ID:64077

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₃
Molecular Mass
159.18302
Exact Mass
159.08954328
Charge
0
InChI
InChI=1S/C7H13NO3/c1-2-11-6(9)3-7(8)4-10-5-7/h2-5,8H2,1H3
InChIKey
IOZAQTKXFQIWIH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC1(N)COC1
Isomeric Smiles
C1(COC1)(N)CC(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-3.106952
LogD (pH = 7.4)
-1.4191558
Log P
-0.64272547
Molar Refractivity
38.8548
Polarizability
15.927211
Polar Surface Area
61.55
Rotatable Bonds
4
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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