Molecule

ID:20706

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO
Molecular Mass
247.3758
Exact Mass
247.19361443
Charge
0
InChI
InChI=1S/C16H25NO/c1-3-13(2)15-6-8-16(9-7-15)18-12-14-5-4-10-17-11-14/h6-9,13-14,17H,3-5,10-12H2,1-2H3
InChIKey
VLCUYWIAVUHSMP-UHFFFAOYSA-N
Canonic Smiles
CCC(c1ccc(cc1)OCC1CCCNC1)C
Isomeric Smiles
N1CC(COc2ccc(cc2)C(CC)C)CCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.42918083
LogD (pH = 7.4)
1.086768
Log P
3.651068
Molar Refractivity
76.1886
Polarizability
30.173601
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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