Molecule

ID:80987

General Information
Structure
MolImage
Molecular Formula
C₉H₆Cl₄N₂O
Molecular Mass
299.96874
Exact Mass
297.92342354
Charge
0
InChI
InChI=1S/C9H6Cl4N2O/c10-5-1-3-6(4-2-5)14-9(16)15-8(13)7(11)12/h1-4H,(H2,14,15,16)
InChIKey
FWSJZQZXKRGOMP-UHFFFAOYSA-N
Canonic Smiles
O=C(NC(=C(Cl)Cl)Cl)Nc1ccc(cc1)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1ccc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.731992
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
3.7755451
LogD (pH = 7.4)
3.7755275
Log P
3.7755454
Molar Refractivity
88.2412
Polarizability
25.57486
Polar Surface Area
41.13
Rotatable Bonds
2
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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