Molecule

ID:90088

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NO₂
Molecular Mass
218.0368
Exact Mass
216.96973377
Charge
0
InChI
InChI=1S/C8H5Cl2NO2/c9-7-2-1-6(8(10)5-7)3-4-11(12)13/h1-5H
InChIKey
LIWIJBBAMBDXME-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)/C=C/c1ccc(cc1Cl)Cl
Isomeric Smiles
[N+](=O)(/C=C/c1c(cc(cc1)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.3354373
LogD (pH = 7.4)
3.3354373
Log P
3.3354373
Molar Refractivity
51.6579
Polarizability
19.589115
Polar Surface Area
45.82
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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