Molecule

ID:80989

General Information
Structure
MolImage
Molecular Formula
C₉H₄Cl₆N₂O
Molecular Mass
368.85886
Exact Mass
365.84547884
Charge
0
InChI
InChI=1S/C9H4Cl6N2O/c10-3-1-4(11)6(5(12)2-3)16-9(18)17-8(15)7(13)14/h1-2H,(H2,16,17,18)
InChIKey
UOBXMCOARHIKJW-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1c(Cl)cc(cc1Cl)Cl)NC(=C(Cl)Cl)Cl
Isomeric Smiles
N(C(=C(Cl)Cl)Cl)C(=O)Nc1c(cc(cc1Cl)Cl)Cl
Calculated Properties
JChem
Acid pKa
10.946203
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
4.9836335
LogD (pH = 7.4)
4.9835186
Log P
4.983635
Molar Refractivity
97.8508
Polarizability
29.56631
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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