Molecule

ID:34169

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₅N₃O₂
Molecular Mass
327.4207
Exact Mass
327.19467706
Charge
0
InChI
InChI=1S/C19H25N3O2/c23-18-12-16(15-4-2-1-3-5-15)13-19(24)17(18)14-21-8-11-22-9-6-20-7-10-22/h1-5,14,16,20-21H,6-13H2/b17-14-
InChIKey
WOCWRBCGPWPIKN-VKAVYKQESA-N
Canonic Smiles
O=C1CC(CC(=O)/C/1=C\NCCN1CCNCC1)c1ccccc1
Isomeric Smiles
C1(=O)CC(CC(=O)/C/1=C\NCCN1CCNCC1)c1ccccc1
Calculated Properties
JChem
Acid pKa
18.235521
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.6782424
LogD (pH = 7.4)
-0.23546124
Log P
1.3807448
Molar Refractivity
95.1464
Polarizability
36.904095
Polar Surface Area
61.44
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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