Molecule

ID:40632

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₄N₂O₃
Molecular Mass
316.39476
Exact Mass
316.17869264
Charge
0
InChI
InChI=1S/C18H24N2O3/c1-23-18(22)15-11-17(21)20(13-15)16-7-9-19(10-8-16)12-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3
InChIKey
VQCDWKWEVDUUHN-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C1CC(=O)N(C1)C1CCN(CC1)Cc1ccccc1
Isomeric Smiles
N1(C(=O)CC(C1)C(=O)OC)C1CCN(CC1)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-2.0060782
LogD (pH = 7.4)
-0.26685843
Log P
0.919892
Molar Refractivity
88.0733
Polarizability
34.468735
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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