Molecule

ID:82858

General Information
Structure
MolImage
Molecular Formula
C₇H₅Cl₂NO₂
Molecular Mass
206.0261
Exact Mass
204.96973377
Charge
0
InChI
InChI=1S/C7H5Cl2NO2/c1-4-6(8)2-5(10(11)12)3-7(4)9/h2-3H,1H3
InChIKey
RUVCGWLHTVGNGI-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cc(Cl)c(c(c1)Cl)C
Isomeric Smiles
[N+](=O)(c1cc(c(c(c1)Cl)C)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.6347408
LogD (pH = 7.4)
3.6347408
Log P
3.6347408
Molar Refractivity
47.0293
Polarizability
17.852947
Polar Surface Area
43.14
Rotatable Bonds
1
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
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Molecule Details
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References
Bioactivity
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