Molecule

ID:86536

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₃N₂O₂
Molecular Mass
293.53378
Exact Mass
291.95731051
Charge
0
InChI
InChI=1S/C10H7Cl3N2O2/c11-4-10-14-9(15-17-10)5-16-6-1-2-7(12)8(13)3-6/h1-3H,4-5H2
InChIKey
DJCNKUFLGYKHED-UHFFFAOYSA-N
Canonic Smiles
ClCc1onc(n1)COc1ccc(c(c1)Cl)Cl
Isomeric Smiles
n1c(onc1COc1cc(c(cc1)Cl)Cl)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.707336
LogD (pH = 7.4)
3.707336
Log P
3.707336
Molar Refractivity
66.0641
Polarizability
25.214296
Polar Surface Area
48.15
Rotatable Bonds
4
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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