Molecule

ID:41748

General Information
Structure
MolImage
Molecular Formula
C₂₀H₂₃N₃O
Molecular Mass
321.41612
Exact Mass
321.18411237
Charge
0
InChI
InChI=1S/C20H23N3O/c21-19-10-8-18(9-11-19)20(24)23-15-13-22(14-16-23)12-4-7-17-5-2-1-3-6-17/h1-11H,12-16,21H2/b7-4+
InChIKey
NHMIBCQVTUBROE-QPJJXVBHSA-N
Canonic Smiles
Nc1ccc(cc1)C(=O)N1CCN(CC1)C/C=C/c1ccccc1
Isomeric Smiles
C(=O)(N1CCN(CC1)C/C=C/c1ccccc1)c1ccc(N)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.5934572
LogD (pH = 7.4)
2.5737767
Log P
2.6238205
Molar Refractivity
100.6115
Polarizability
37.43796
Polar Surface Area
49.57
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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