Molecule

ID:62526

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃N₃O
Molecular Mass
309.40542
Exact Mass
309.18411237
Charge
0
InChI
InChI=1S/C19H23N3O/c1-2-10-22-11-9-21-18(19(22)23)13-15-5-3-6-16(12-15)17-7-4-8-20-14-17/h3-8,12,14,18,21H,2,9-11,13H2,1H3
InChIKey
SGZSTCCOWSUTOT-UHFFFAOYSA-N
Canonic Smiles
CCCN1CCNC(C1=O)Cc1cccc(c1)c1cccnc1
Isomeric Smiles
C1(=O)N(CCNC1Cc1cc(c2cnccc2)ccc1)CCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.8671961
LogD (pH = 7.4)
2.179507
Log P
2.2879634
Molar Refractivity
91.7894
Polarizability
37.166718
Polar Surface Area
45.23
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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