Molecule

ID:101501

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₈N₂O₃
Molecular Mass
320.42652
Exact Mass
320.20999277
Charge
0
InChI
InChI=1S/C18H28N2O3/c1-18(2,3)23-17(21)20-10-8-16(9-11-20)22-13-15-6-4-14(12-19)5-7-15/h4-7,16H,8-13,19H2,1-3H3
InChIKey
NZWAUTDCSSMVGG-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(cc1)COC1CCN(CC1)C(=O)OC(C)(C)C
Isomeric Smiles
C(=O)(N1CCC(CC1)OCc1ccc(cc1)CN)OC(C)(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.085544
LogD (pH = 7.4)
-0.14148934
Log P
1.9017422
Molar Refractivity
91.25
Polarizability
35.807243
Polar Surface Area
64.79
Rotatable Bonds
6
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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