Molecule

ID:88040

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O
Molecular Mass
220.65496
Exact Mass
220.0403406
Charge
0
InChI
InChI=1S/C11H9ClN2O/c1-14-10(11(12)15)7-9(13-14)8-5-3-2-4-6-8/h2-7H,1H3
InChIKey
YTYWUDWSOXANNS-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cc(nn1C)c1ccccc1
Isomeric Smiles
n1c(c2ccccc2)cc(n1C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5450883
LogD (pH = 7.4)
2.5450952
Log P
2.5450952
Molar Refractivity
70.7178
Polarizability
23.596478
Polar Surface Area
34.89
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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