Molecule

ID:87994

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₉NO₄
Molecular Mass
265.30496
Exact Mass
265.13140809
Charge
0
InChI
InChI=1S/C14H19NO4/c1-17-14(16)12-3-2-4-13(11-12)19-10-7-15-5-8-18-9-6-15/h2-4,11H,5-10H2,1H3
InChIKey
VOYSHDFODOJUMP-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)OCCN1CCOCC1
Isomeric Smiles
O1CCN(CC1)CCOc1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
0.6081232
LogD (pH = 7.4)
1.5711848
Log P
1.6191956
Molar Refractivity
71.6401
Polarizability
27.977194
Polar Surface Area
48.0
Rotatable Bonds
6
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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