Molecule

ID:92985

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₉NO₃
Molecular Mass
261.31626
Exact Mass
261.13649347
Charge
0
InChI
InChI=1S/C15H19NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h3-7,13H,2,8-11H2,1H3
InChIKey
KZRCFZMHWBAFHJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)c1ccccc1
Isomeric Smiles
N1(CCC(CC1)C(=O)OCC)C(=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.8470498
LogD (pH = 7.4)
1.8470509
Log P
1.8470509
Molar Refractivity
72.8294
Polarizability
27.934977
Polar Surface Area
46.61
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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