Molecule

ID:44738

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-15-9-7-13-11(14-10(9)12)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
UFVSWOWNNFETRC-UHFFFAOYSA-N
Canonic Smiles
COc1cnc(nc1Cl)c1ccccc1
Isomeric Smiles
n1c(ncc(c1Cl)OC)c1ccccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.0595365
LogD (pH = 7.4)
3.0595658
Log P
3.059566
Molar Refractivity
70.4627
Polarizability
23.284595
Polar Surface Area
35.01
Rotatable Bonds
2
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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