Molecule

ID:118391

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂N₂O₂
Molecular Mass
262.34738
Exact Mass
262.16812795
Charge
0
InChI
InChI=1S/C15H22N2O2/c1-10(2)8-17-12-6-5-11(16)7-13(12)19-9-15(3,4)14(17)18/h5-7,10H,8-9,16H2,1-4H3
InChIKey
OEOQMUMFXNQPFI-UHFFFAOYSA-N
Canonic Smiles
CC(CN1c2ccc(cc2OCC(C1=O)(C)C)N)C
Isomeric Smiles
N1(C(=O)C(COc2c1ccc(c2)N)(C)C)CC(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.3636353
LogD (pH = 7.4)
2.369989
Log P
2.3700705
Molar Refractivity
76.1605
Polarizability
29.184126
Polar Surface Area
55.56
Rotatable Bonds
2
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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