Molecule

ID:56741

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉Cl₂NO₄
Molecular Mass
278.08876
Exact Mass
276.99086313
Charge
0
InChI
InChI=1S/C10H9Cl2NO4/c1-10(2,9(12)14)17-8-4-3-6(13(15)16)5-7(8)11/h3-5H,1-2H3
InChIKey
FRAHPPVBHLTWOJ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)C(Oc1ccc(cc1Cl)[N+](=O)[O-])(C)C
Isomeric Smiles
[N+](=O)(c1cc(c(OC(C(=O)Cl)(C)C)cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.3724465
LogD (pH = 7.4)
3.3724465
Log P
3.3724465
Molar Refractivity
63.801
Polarizability
24.280598
Polar Surface Area
72.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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