Molecule
ID:12912
General Information
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-12-13(2)18(16-7-4-3-6-15(12)16)11-14(20)10-17-8-5-9-19/h3-4,6-7,14,17,19-20H,5,8-11H2,1-2H3
InChIKey
GDVLDDOMEVYIQI-UHFFFAOYSA-N
Canonic Smiles
OCCCNCC(Cn1c2ccccc2c(c1C)C)O
Isomeric Smiles
c1ccc2c(c1)c(c(n2CC(CNCCCO)O)C)C
Calculated Properties
JChem
Acid pKa
14.424891
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-1.791465
LogD (pH = 7.4)
-0.7089157
Log P
1.383786
Molar Refractivity
82.0767
Polarizability
32.811836
Polar Surface Area
57.42
Rotatable Bonds
7
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
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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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