Molecule

ID:81038

General Information
Structure
MolImage
Molecular Formula
C₁₀H₄Cl₅NO₂
Molecular Mass
347.40926
Exact Mass
344.86846677
Charge
0
InChI
InChI=1S/C10H4Cl5NO2/c11-6-2-1-5(7(12)3-6)4-16-18-10(17)8(13)9(14)15/h1-4H
InChIKey
PDGNJBCDIVGNAX-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)/C=N/OC(=O)C(=C(Cl)Cl)Cl
Isomeric Smiles
N(=C\c1ccc(cc1Cl)Cl)/OC(=O)C(=C(Cl)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.1791167
LogD (pH = 7.4)
5.179117
Log P
5.179117
Molar Refractivity
85.0634
Polarizability
28.574978
Polar Surface Area
38.66
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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