Molecule

ID:86284

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉ClN₂O₂
Molecular Mass
284.69716
Exact Mass
284.03525522
Charge
0
InChI
InChI=1S/C15H9ClN2O2/c16-14-11(6-3-9-18-14)15(19)20-12-7-1-4-10-5-2-8-17-13(10)12/h1-9H
InChIKey
FTXWXQWGNMXIEN-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cccnc1Cl)Oc1cccc2c1nccc2
Isomeric Smiles
O(c1c2ncccc2ccc1)C(=O)c1cccnc1Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.3983545
LogD (pH = 7.4)
3.3988786
Log P
3.3988853
Molar Refractivity
75.4914
Polarizability
30.146544
Polar Surface Area
52.08
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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Related Proteins
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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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