Molecule

ID:84128

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c17-13-3-7-15(8-4-13)19-11-1-2-12-20-16-9-5-14(18)6-10-16/h3-10H,1-2,11-12,17-18H2
InChIKey
LAFZPVANKKJENB-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)OCCCCOc1ccc(cc1)N
Isomeric Smiles
Nc1ccc(cc1)OCCCCOc1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.1074128
LogD (pH = 7.4)
2.37508
Log P
2.3790946
Molar Refractivity
81.9842
Polarizability
30.924751
Polar Surface Area
70.5
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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