Molecule

ID:20751

General Information
Structure
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-17(2,3)16-6-4-14(5-7-16)12-19-13-15-8-10-18-11-9-15/h4-7,15,18H,8-13H2,1-3H3
InChIKey
LZKUKWLPTZUCNU-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)COCC1CCNCC1)(C)C
Isomeric Smiles
C(c1ccc(cc1)COCC1CCNCC1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.26701626
LogD (pH = 7.4)
0.7277709
Log P
3.4984376
Molar Refractivity
81.2654
Polarizability
32.030617
Polar Surface Area
21.26
Rotatable Bonds
5
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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