Molecule

ID:29047

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₇NO
Molecular Mass
249.39168
Exact Mass
249.20926449
Charge
0
InChI
InChI=1S/C16H27NO/c1-4-5-11-17-13-15-6-8-16(9-7-15)18-12-10-14(2)3/h6-9,14,17H,4-5,10-13H2,1-3H3
InChIKey
XRHOYPSBPALZDN-UHFFFAOYSA-N
Canonic Smiles
CCCCNCc1ccc(cc1)OCCC(C)C
Isomeric Smiles
c1(ccc(cc1)CNCCCC)OCCC(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.1003591
LogD (pH = 7.4)
1.9344395
Log P
4.3087406
Molar Refractivity
78.065
Polarizability
30.991716
Polar Surface Area
21.26
Rotatable Bonds
9
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
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References
Bioactivity
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