Molecule

ID:101963

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₃N₂O
Molecular Mass
263.5078
Exact Mass
261.94674583
Charge
0
InChI
InChI=1S/C9H5Cl3N2O/c10-4-7-13-9(14-15-7)8-5(11)2-1-3-6(8)12/h1-3H,4H2
InChIKey
HLKHQFLBFDOPKJ-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)c1c(Cl)cccc1Cl
Isomeric Smiles
c1(nc(on1)CCl)c1c(Cl)cccc1Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0625362
LogD (pH = 7.4)
4.0625362
Log P
4.0625362
Molar Refractivity
70.8887
Polarizability
23.296295
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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