Molecule

ID:29054

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₅NO₂
Molecular Mass
263.3752
Exact Mass
263.18852905
Charge
0
InChI
InChI=1S/C16H25NO2/c1-13(2)12-19-15-7-5-14(6-8-15)10-17-11-16-4-3-9-18-16/h5-8,13,16-17H,3-4,9-12H2,1-2H3
InChIKey
CFYOZGMJQHGDCG-UHFFFAOYSA-N
Canonic Smiles
CC(COc1ccc(cc1)CNCC1CCCO1)C
Isomeric Smiles
O1C(CNCc2ccc(OCC(C)C)cc2)CCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.07527759
LogD (pH = 7.4)
1.2461796
Log P
3.0368156
Molar Refractivity
77.7681
Polarizability
30.915148
Polar Surface Area
30.49
Rotatable Bonds
7
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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