Molecule

ID:58827

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-2-16-13(15)11-5-3-7-14(9-11)10-12-6-4-8-17-12/h4,6,8,11H,2-3,5,7,9-10H2,1H3
InChIKey
SYONVDJSRIFTGU-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCCN(C1)Cc1ccco1
Isomeric Smiles
C1(C(=O)OCC)CN(Cc2occc2)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.8304309
LogD (pH = 7.4)
0.940166
Log P
1.7066094
Molar Refractivity
64.7372
Polarizability
25.335825
Polar Surface Area
42.68
Rotatable Bonds
5
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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