Molecule

ID:29046

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₅NO
Molecular Mass
235.3651
Exact Mass
235.19361443
Charge
0
InChI
InChI=1S/C15H25NO/c1-4-5-10-16-11-14-6-8-15(9-7-14)17-12-13(2)3/h6-9,13,16H,4-5,10-12H2,1-3H3
InChIKey
IOZHGVDKRSBBGC-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1ccc(cc1)OCC(C)C
Isomeric Smiles
O(c1ccc(cc1)CNCCCC)CC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.7337543
LogD (pH = 7.4)
1.5679418
Log P
3.9421256
Molar Refractivity
73.387
Polarizability
29.145033
Polar Surface Area
21.26
Rotatable Bonds
8
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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