Molecule
ID:121831
General Information
Molecular Formula
C₁₆H₂₅NO₂
Molecular Mass
263.3752
Exact Mass
263.18852905
Charge
0
InChI
InChI=1S/C16H25NO2/c1-3-18-16(19-4-2)10-12-17(13-11-16)14-15-8-6-5-7-9-15/h5-9H,3-4,10-14H2,1-2H3
InChIKey
BIWIVGCTGYSXRF-UHFFFAOYSA-N
Canonic Smiles
CCOC1(OCC)CCN(CC1)Cc1ccccc1
Isomeric Smiles
C1(CCN(CC1)Cc1ccccc1)(OCC)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.44167325
LogD (pH = 7.4)
2.1484654
Log P
3.463574
Molar Refractivity
77.9647
Polarizability
30.932673
Polar Surface Area
21.7
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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