Molecule

ID:50933

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-11-4-6-14(18-10-11)13(17)8-12-5-7-15(19-2)16(9-12)20-3/h4-7,9-10,13H,8,17H2,1-3H3
InChIKey
PYDSGVQSZKYTIN-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OC)CC(c1ccc(cn1)C)N
Isomeric Smiles
n1c(C(Cc2cc(c(cc2)OC)OC)N)ccc(c1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.4529457
LogD (pH = 7.4)
0.99869317
Log P
2.3859832
Molar Refractivity
78.9328
Polarizability
30.956234
Polar Surface Area
57.37
Rotatable Bonds
5
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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