Molecule

ID:126766

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₇NO₃
Molecular Mass
247.28968
Exact Mass
247.12084341
Charge
0
InChI
InChI=1S/C14H17NO3/c16-14(15-6-2-1-3-7-15)11-4-5-12-13(10-11)18-9-8-17-12/h4-5,10H,1-3,6-9H2
InChIKey
LJUNPHMOGNFFOS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc2c(c1)OCCO2)N1CCCCC1
Isomeric Smiles
C1CCN(CC1)C(=O)c1cc2c(cc1)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.6347357
LogD (pH = 7.4)
1.6347369
Log P
1.6347369
Molar Refractivity
68.0292
Polarizability
25.959505
Polar Surface Area
38.77
Rotatable Bonds
1
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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