Molecule

ID:75919

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₉NO₃
Molecular Mass
237.29486
Exact Mass
237.13649347
Charge
0
InChI
InChI=1S/C13H19NO3/c1-14(2)8-5-9-17-12-7-4-6-11(10-12)13(15)16-3/h4,6-7,10H,5,8-9H2,1-3H3
InChIKey
WGAZXKVAWOAUOI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCCCN(C)C
Isomeric Smiles
O(c1cc(ccc1)C(=O)OC)CCCN(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-1.4119425
LogD (pH = 7.4)
0.044683203
Log P
1.8976557
Molar Refractivity
67.431
Polarizability
26.156256
Polar Surface Area
38.77
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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