Molecule

ID:61883

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O₂
Molecular Mass
325.40482
Exact Mass
325.17902699
Charge
0
InChI
InChI=1S/C19H23N3O2/c1-2-24-19(23)17-9-6-10-18(20-17)22-13-11-21(12-14-22)15-16-7-4-3-5-8-16/h3-10H,2,11-15H2,1H3
InChIKey
RZRSCEMCRCQYGG-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc(n1)N1CCN(CC1)Cc1ccccc1
Isomeric Smiles
n1c(N2CCN(Cc3ccccc3)CC2)cccc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.3824961
LogD (pH = 7.4)
3.091507
Log P
3.5758028
Molar Refractivity
95.7078
Polarizability
36.436123
Polar Surface Area
45.67
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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