Molecule

ID:130352

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₆N₂O₂
Molecular Mass
278.38984
Exact Mass
278.19942808
Charge
0
InChI
InChI=1S/C16H26N2O2/c1-5-18(6-2)11-16(3,4)12-20-15(19)13-7-9-14(17)10-8-13/h7-10H,5-6,11-12,17H2,1-4H3
InChIKey
OWQIUQKMMPDHQQ-UHFFFAOYSA-N
Canonic Smiles
CCN(CC(COC(=O)c1ccc(cc1)N)(C)C)CC
Isomeric Smiles
Nc1ccc(C(=O)OCC(C)(C)CN(CC)CC)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.55421656
LogD (pH = 7.4)
0.3093468
Log P
2.9116921
Molar Refractivity
83.9247
Polarizability
32.149
Polar Surface Area
55.56
Rotatable Bonds
8
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
References
Bioactivity
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