Molecule

ID:68320

General Information
Structure
MolImage
Molecular Formula
C₁₆H₂₂N₂O₃
Molecular Mass
290.35748
Exact Mass
290.16304257
Charge
0
InChI
InChI=1S/C16H22N2O3/c1-16(2,3)21-15(20)18-9-7-17(8-10-18)14-6-4-5-13(11-14)12-19/h4-6,11-12H,7-10H2,1-3H3
InChIKey
WAZWDNBEXXXPQA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)N1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
N1(CCN(CC1)c1cc(ccc1)C=O)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5407228
LogD (pH = 7.4)
2.5410526
Log P
2.5410566
Molar Refractivity
82.8211
Polarizability
31.115831
Polar Surface Area
49.85
Rotatable Bonds
4
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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