Molecule

ID:44844

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-4-2-3-7(5-8)10-12-9(6-11)13-15-10/h2-5H,6H2,1H3
InChIKey
GSWMZQIUADKXLN-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1)c1onc(n1)CCl
Isomeric Smiles
n1c(onc1CCl)c1cc(OC)ccc1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7380757
LogD (pH = 7.4)
2.7380757
Log P
2.7380757
Molar Refractivity
67.6165
Polarizability
21.934034
Polar Surface Area
48.15
Rotatable Bonds
3
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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