Molecule

ID:33526

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClN₃O₂
Molecular Mass
327.76496
Exact Mass
327.07745438
Charge
0
InChI
InChI=1S/C17H14ClN3O2/c18-10-15-20-16(21-23-15)13-6-8-14(9-7-13)17(22)19-11-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)
InChIKey
DXJKTWHZURGGAT-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1ccc(cc1)C(=O)NCc1ccccc1
Isomeric Smiles
n1c(noc1CCl)c1ccc(C(=O)NCc2ccccc2)cc1
Calculated Properties
JChem
Acid pKa
14.266793
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
3.6732602
LogD (pH = 7.4)
3.6732602
Log P
3.6732602
Molar Refractivity
99.8668
Polarizability
33.651806
Polar Surface Area
68.02
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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