Molecule

ID:29626

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO₂
Molecular Mass
251.3645
Exact Mass
251.18852905
Charge
0
InChI
InChI=1S/C15H25NO2/c1-4-13(3)16-12-14-6-8-15(9-7-14)18-11-10-17-5-2/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey
FQDXWIWDXOYPLZ-UHFFFAOYSA-N
Canonic Smiles
CCOCCOc1ccc(cc1)CNC(CC)C
Isomeric Smiles
N(Cc1ccc(cc1)OCCOCC)C(CC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2336326
LogD (pH = 7.4)
0.5448603
Log P
2.9796612
Molar Refractivity
75.2527
Polarizability
29.805172
Polar Surface Area
30.49
Rotatable Bonds
9
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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