Molecule

ID:74707

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂O₂
Molecular Mass
224.64366
Exact Mass
224.03525522
Charge
0
InChI
InChI=1S/C10H9ClN2O2/c1-14-8-4-2-7(3-5-8)10-13-12-9(6-11)15-10/h2-5H,6H2,1H3
InChIKey
GEHIXSKXGCIKJJ-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)c1nnc(o1)CCl
Isomeric Smiles
n1c(oc(n1)c1ccc(cc1)OC)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.482193
LogD (pH = 7.4)
1.4821931
Log P
1.4821931
Molar Refractivity
67.7423
Polarizability
21.931215
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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