Molecule

ID:88467

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-16(2,3)12-8-6-11(7-9-12)15-17-13(19-4)10-14(18-15)20-5/h6-10H,1-5H3
InChIKey
OLXOYCYZMWGORH-UHFFFAOYSA-N
Canonic Smiles
COc1cc(OC)nc(n1)c1ccc(cc1)C(C)(C)C
Isomeric Smiles
n1c(cc(nc1c1ccc(cc1)C(C)(C)C)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
4.8465266
LogD (pH = 7.4)
4.8477883
Log P
4.8478045
Molar Refractivity
90.3527
Polarizability
31.146555
Polar Surface Area
44.24
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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