Molecule

ID:125804

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-15(2)10-13-19-17(14-18-11-6-7-12-18)16-8-4-3-5-9-16/h3-5,8-9,15,17H,6-7,10-14H2,1-2H3
InChIKey
ISRODTBNJUAWEJ-UHFFFAOYSA-N
Canonic Smiles
CC(CCOC(c1ccccc1)CN1CCCC1)C
Isomeric Smiles
O(CCC(C)C)C(c1ccccc1)CN1CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.68721354
LogD (pH = 7.4)
2.220388
Log P
3.9441497
Molar Refractivity
81.2776
Polarizability
32.11292
Polar Surface Area
12.47
Rotatable Bonds
7
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
References
Bioactivity
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