Molecule

ID:53015

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₄N₂O₃
Molecular Mass
304.38406
Exact Mass
304.17869264
Charge
0
InChI
InChI=1S/C17H24N2O3/c1-17(2,3)22-16(21)19-9-7-18(8-10-19)12-14-5-4-6-15(11-14)13-20/h4-6,11,13H,7-10,12H2,1-3H3
InChIKey
YIKZZJRCKPEHGU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
c1c(cc(cc1)C=O)CN1CCN(CC1)C(=O)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.9208508
LogD (pH = 7.4)
2.3644502
Log P
2.3744097
Molar Refractivity
86.9352
Polarizability
33.3332
Polar Surface Area
49.85
Rotatable Bonds
5
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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