Molecule

ID:29045

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₉NO
Molecular Mass
263.41826
Exact Mass
263.22491455
Charge
0
InChI
InChI=1S/C17H29NO/c1-3-5-7-8-14-19-17-11-9-16(10-12-17)15-18-13-6-4-2/h9-12,18H,3-8,13-15H2,1-2H3
InChIKey
JYVRWKGDBCVPRR-UHFFFAOYSA-N
Canonic Smiles
CCCCCCOc1ccc(cc1)CNCCCC
Isomeric Smiles
c1(ccc(cc1)CNCCCC)OCCCCCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.702477
LogD (pH = 7.4)
2.5365531
Log P
4.9108586
Molar Refractivity
82.7184
Polarizability
32.83843
Polar Surface Area
21.26
Rotatable Bonds
11
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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