Molecule

ID:72254

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-11-5-3-4-6-13(11)14(17)16-9-7-12(8-10-16)15(18)19-2/h3-6,12H,7-10H2,1-2H3
InChIKey
CBXFBDPRUSFVIK-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CCN(CC1)C(=O)c1ccccc1C
Isomeric Smiles
C(=O)(N1CCC(C(=O)OC)CC1)c1c(C)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.003662
LogD (pH = 7.4)
2.0036643
Log P
2.0036643
Molar Refractivity
73.122
Polarizability
27.860004
Polar Surface Area
46.61
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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