Molecule

ID:79323

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇Cl₃N₂O₂
Molecular Mass
353.58728
Exact Mass
351.95731051
Charge
0
InChI
InChI=1S/C15H7Cl3N2O2/c16-10-7-11(17)13(12-8(10)3-1-5-19-12)22-15(21)9-4-2-6-20-14(9)18/h1-7H
InChIKey
KXLDAIDDLUHIQB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c2c(c1OC(=O)c1cccnc1Cl)nccc2
Isomeric Smiles
O(c1c2c(c(cc1Cl)Cl)cccn2)C(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.606951
LogD (pH = 7.4)
4.6069746
Log P
4.6069746
Molar Refractivity
85.101
Polarizability
33.9683
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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