Molecule

ID:29032

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃₃NO
Molecular Mass
291.47142
Exact Mass
291.25621468
Charge
0
InChI
InChI=1S/C19H33NO/c1-5-6-7-8-9-14-20-15-16-21-18-12-10-17(11-13-18)19(2,3)4/h10-13,20H,5-9,14-16H2,1-4H3
InChIKey
YLDAGJAADMGYAO-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCCOc1ccc(cc1)C(C)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCNCCCCCCC)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.4520373
LogD (pH = 7.4)
3.3501039
Log P
5.6538324
Molar Refractivity
91.5881
Polarizability
36.45314
Polar Surface Area
21.26
Rotatable Bonds
11
Lipinski's Rule of Five
false
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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