Molecule

ID:33499

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O
Molecular Mass
208.64426
Exact Mass
208.0403406
Charge
0
InChI
InChI=1S/C10H9ClN2O/c1-7-2-4-8(5-3-7)10-12-9(6-11)13-14-10/h2-5H,6H2,1H3
InChIKey
XYVIJHIIGWPJAX-UHFFFAOYSA-N
Canonic Smiles
ClCc1noc(n1)c1ccc(cc1)C
Isomeric Smiles
n1c(onc1CCl)c1ccc(cc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.4339666
LogD (pH = 7.4)
3.4339666
Log P
3.4339666
Molar Refractivity
66.1945
Polarizability
21.148811
Polar Surface Area
38.92
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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