Molecule

ID:82043

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀Cl₂N₂O
Molecular Mass
317.1694
Exact Mass
316.01701831
Charge
0
InChI
InChI=1S/C16H10Cl2N2O/c17-14-9-5-4-8-12(14)15-13(10-21)16(18)20(19-15)11-6-2-1-3-7-11/h1-10H
InChIKey
OLJCTXQGWWFQJD-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)n(nc1c1ccccc1Cl)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(c(c(n1)c1ccccc1Cl)C=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.7277393
LogD (pH = 7.4)
4.727742
Log P
4.727742
Molar Refractivity
85.3786
Polarizability
34.05263
Polar Surface Area
34.89
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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