Molecule

ID:79322

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈Cl₂N₂O₂
Molecular Mass
319.14222
Exact Mass
317.99628287
Charge
0
InChI
InChI=1S/C15H8Cl2N2O2/c16-11-5-6-12(13-9(11)3-1-7-18-13)21-15(20)10-4-2-8-19-14(10)17/h1-8H
InChIKey
FWUWFPXKKUUJII-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)Oc1ccc(c2c1nccc2)Cl
Isomeric Smiles
O(c1c2c(c(cc1)Cl)cccn2)C(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.002845
LogD (pH = 7.4)
4.0029287
Log P
4.00293
Molar Refractivity
80.2962
Polarizability
32.033306
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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