Molecule

ID:29068

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO
Molecular Mass
247.3758
Exact Mass
247.19361443
Charge
0
InChI
InChI=1S/C16H25NO/c1-2-12-18-16-11-7-6-8-14(16)13-17-15-9-4-3-5-10-15/h6-8,11,15,17H,2-5,9-10,12-13H2,1H3
InChIKey
JDWPWMMGCHXLFO-UHFFFAOYSA-N
Canonic Smiles
CCCOc1ccccc1CNC1CCCCC1
Isomeric Smiles
c1(CNC2CCCCC2)c(OCCC)cccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8779815
LogD (pH = 7.4)
1.9643861
Log P
4.052524
Molar Refractivity
76.056
Polarizability
30.251392
Polar Surface Area
21.26
Rotatable Bonds
6
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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