Molecule

ID:84155

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₀N₂O₂
Molecular Mass
272.3422
Exact Mass
272.15247789
Charge
0
InChI
InChI=1S/C16H20N2O2/c1-19-15-8-7-12(11-16(15)20-2)9-10-18-14-6-4-3-5-13(14)17/h3-8,11,18H,9-10,17H2,1-2H3
InChIKey
BKTXIZUTZYIZOD-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCNc2ccccc2N)ccc1OC
Isomeric Smiles
N(c1ccccc1N)CCc1ccc(c(c1)OC)OC
Calculated Properties
JChem
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
2.180075
LogD (pH = 7.4)
2.3129027
Log P
2.3148897
Molar Refractivity
83.2462
Polarizability
30.847813
Polar Surface Area
56.51
Rotatable Bonds
6
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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