Molecule

ID:122745

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₂ClN₃O₃
Molecular Mass
327.80648
Exact Mass
327.13496926
Charge
0
InChI
InChI=1S/C15H21N3O3.ClH/c1-12(19)17-14-5-3-2-4-13(14)15(20)16-6-7-18-8-10-21-11-9-18;/h2-5H,6-11H2,1H3,(H,16,20)(H,17,19);1H
InChIKey
NNHOXONMYDEFKX-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccccc1C(=O)NCCN1CCOCC1.Cl
Isomeric Smiles
c1(c(NC(=O)C)cccc1)C(=O)NCCN1CCOCC1.Cl
Calculated Properties
JChem
Acid pKa
12.769678
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.13786732
LogD (pH = 7.4)
0.7195181
Log P
0.7354166
Molar Refractivity
81.9897
Polarizability
30.599512
Polar Surface Area
70.67
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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