Molecule

ID:84376

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆Cl₃NO
Molecular Mass
262.51974
Exact Mass
260.95149686
Charge
0
InChI
InChI=1S/C10H6Cl3NO/c11-5-6-4-9(14-15-6)10-7(12)2-1-3-8(10)13/h1-4H,5H2
InChIKey
ONEVVQPPKGAPNZ-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(c1)c1c(Cl)cccc1Cl
Isomeric Smiles
n1c(c2c(cccc2Cl)Cl)cc(o1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.0861993
LogD (pH = 7.4)
4.0861993
Log P
4.0861993
Molar Refractivity
61.6182
Polarizability
24.737911
Polar Surface Area
26.03
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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