Molecule

ID:10529

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₁N₃O
Molecular Mass
319.40024
Exact Mass
319.16846231
Charge
0
InChI
InChI=1S/C20H21N3O/c1-3-7-15(8-4-1)18(16-9-5-2-6-10-16)19-22-20(24-23-19)17-11-13-21-14-12-17/h1-10,17-18,21H,11-14H2
InChIKey
CPRQKDVHUSKGTQ-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)c1onc(n1)C(c1ccccc1)c1ccccc1
Isomeric Smiles
n1c(noc1C1CCNCC1)C(c1ccccc1)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.7155683
LogD (pH = 7.4)
1.7270099
Log P
4.0297956
Molar Refractivity
95.5622
Polarizability
36.309864
Polar Surface Area
50.95
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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