Molecule

ID:90351

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-7-9(10(12)14)15-11(13-7)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey
ZBYONYNIHONAKB-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1oc(nc1C)c1ccccc1
Isomeric Smiles
o1c(c(nc1c1ccccc1)C)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.1821911
LogD (pH = 7.4)
2.1821914
Log P
2.1821914
Molar Refractivity
67.4527
Polarizability
22.128233
Polar Surface Area
43.1
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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