Molecule

ID:88438

General Information
Structure
MolImage
Molecular Formula
C₇H₁₃NO₃
Molecular Mass
159.18302
Exact Mass
159.08954328
Charge
0
InChI
InChI=1S/C7H13NO3/c1-2-10-7(9)6-5-8-3-4-11-6/h6,8H,2-5H2,1H3
InChIKey
PTWKMUDNOPBYJO-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CNCCO1
Isomeric Smiles
N1CCOC(C1)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.0903497
LogD (pH = 7.4)
-0.5119204
Log P
-0.21873732
Molar Refractivity
39.1155
Polarizability
15.927211
Polar Surface Area
47.56
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
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References
Bioactivity
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