Molecule

ID:72255

General Information
Structure
Molecular Formula
C₁₅H₂₅NO₃
Molecular Mass
267.3639
Exact Mass
267.18344367
Charge
0
InChI
InChI=1S/C15H25NO3/c1-2-19-15(18)13-8-10-16(11-9-13)14(17)12-6-4-3-5-7-12/h12-13H,2-11H2,1H3
InChIKey
OJWMQRNBYOVBON-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)C1CCN(CC1)C(=O)C1CCCCC1
Isomeric Smiles
N1(C(=O)C2CCCCC2)CCC(C(=O)OCC)CC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1063695
LogD (pH = 7.4)
2.1063786
Log P
2.1063788
Molar Refractivity
73.3611
Polarizability
28.884956
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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