Molecule

ID:59216

General Information
Structure
MolImage
Molecular Formula
C₉H₅Cl₃N₂
Molecular Mass
247.5084
Exact Mass
245.95183121
Charge
0
InChI
InChI=1S/C9H5Cl3N2/c10-4-8-13-7-2-1-5(11)3-6(7)9(12)14-8/h1-3H,4H2
InChIKey
BLJFNIZOARXJLZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(Cl)c2c(n1)ccc(c2)Cl
Isomeric Smiles
c1(ccc2c(c1)c(nc(n2)CCl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.941662
LogD (pH = 7.4)
3.9416623
Log P
3.9416623
Molar Refractivity
58.849
Polarizability
23.552368
Polar Surface Area
25.78
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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