Molecule

ID:21142

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₇NO
Molecular Mass
261.40238
Exact Mass
261.20926449
Charge
0
InChI
InChI=1S/C17H27NO/c1-17(2,3)15-6-8-16(9-7-15)19-12-10-14-5-4-11-18-13-14/h6-9,14,18H,4-5,10-13H2,1-3H3
InChIKey
XZONYLGJBZSYHK-UHFFFAOYSA-N
Canonic Smiles
CC(c1ccc(cc1)OCCC1CCCNC1)(C)C
Isomeric Smiles
C(c1ccc(cc1)OCCC1CNCCC1)(C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.6752363
LogD (pH = 7.4)
1.0512863
Log P
3.9095585
Molar Refractivity
80.7625
Polarizability
32.019302
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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