Molecule

ID:33521

General Information
Structure
MolImage
Molecular Formula
C₁₇H₂₀ClN₃O₂
Molecular Mass
333.8126
Exact Mass
333.12440458
Charge
0
InChI
InChI=1S/C17H20ClN3O2/c1-21(14-5-3-2-4-6-14)17(22)13-9-7-12(8-10-13)16-19-15(11-18)23-20-16/h7-10,14H,2-6,11H2,1H3
InChIKey
VSOMEIXMMUEPTA-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)C(=O)N(C1CCCCC1)C
Isomeric Smiles
n1c(noc1CCl)c1ccc(C(=O)N(C2CCCCC2)C)cc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.879506
LogD (pH = 7.4)
3.8795075
Log P
3.8795078
Molar Refractivity
101.1651
Polarizability
34.392296
Polar Surface Area
59.23
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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