Molecule

ID:17601

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₄N₂O₂
Molecular Mass
276.37396
Exact Mass
276.18377802
Charge
0
InChI
InChI=1S/C16H24N2O2/c1-2-5-14-6-3-4-7-16(14)20-13-15(19)12-18-10-8-17-9-11-18/h2-4,6-7,15,17,19H,1,5,8-13H2
InChIKey
XXEZXLBLUNQIJY-UHFFFAOYSA-N
Canonic Smiles
C=CCc1ccccc1OCC(CN1CCNCC1)O
Isomeric Smiles
c1(c(cccc1)CC=C)OCC(CN1CCNCC1)O
Calculated Properties
JChem
Acid pKa
14.0789175
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-1.3991739
LogD (pH = 7.4)
-0.07060224
Log P
1.7665265
Molar Refractivity
81.5455
Polarizability
32.12893
Polar Surface Area
44.73
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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