Molecule

ID:40372

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₃N₂O
Molecular Mass
263.5078
Exact Mass
261.94674583
Charge
0
InChI
InChI=1S/C9H5Cl3N2O/c10-4-8-13-14-9(15-8)5-1-2-6(11)7(12)3-5/h1-3H,4H2
InChIKey
NTJXILNOEFQNJR-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1c(oc(n1)CCl)c1cc(c(cc1)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8479536
LogD (pH = 7.4)
2.8479538
Log P
2.8479538
Molar Refractivity
70.8887
Polarizability
23.293043
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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