Molecule

ID:81815

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀ClNO₄
Molecular Mass
291.6865
Exact Mass
291.02983549
Charge
0
InChI
InChI=1S/C14H10ClNO4/c1-20-11-5-2-9(3-6-11)14(17)10-4-7-13(16(18)19)12(15)8-10/h2-8H,1H3
InChIKey
XXFQJRUXVZLXFL-UHFFFAOYSA-N
Canonic Smiles
COc1ccc(cc1)C(=O)c1ccc(c(c1)Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1c(cc(cc1)C(=O)c1ccc(cc1)OC)Cl)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.8189564
LogD (pH = 7.4)
3.8189564
Log P
3.8189564
Molar Refractivity
75.2262
Polarizability
28.307852
Polar Surface Area
72.12
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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