Molecule

ID:80337

General Information
Structure
MolImage
Molecular Formula
C₆Cl₅NO₂
Molecular Mass
295.3347
Exact Mass
292.83716665
Charge
0
InChI
InChI=1S/C6Cl5NO2/c7-1-2(8)4(10)6(12(13)14)5(11)3(1)9
InChIKey
LKPLKUMXSAEKID-UHFFFAOYSA-N
Canonic Smiles
Clc1c(Cl)c([N+](=O)[O-])c(c(c1Cl)Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.9334536
LogD (pH = 7.4)
4.9334536
Log P
4.9334536
Molar Refractivity
56.4025
Polarizability
22.263044
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
No Data Available
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Molecule Details
References
Bioactivity
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