Molecule

ID:79379

General Information
Structure
MolImage
Molecular Formula
C₁₅H₉Cl₂NO₄
Molecular Mass
338.14226
Exact Mass
336.99086313
Charge
0
InChI
InChI=1S/C15H9Cl2NO4/c16-11-2-5-13(6-3-11)22-15(19)8-1-10-9-12(18(20)21)4-7-14(10)17/h1-9H
InChIKey
WEXXBEGRCVKUGT-UHFFFAOYSA-N
Canonic Smiles
O=C(Oc1ccc(cc1)Cl)/C=C/c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)Cl)/C=C/C(=O)Oc1ccc(cc1)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.321346
LogD (pH = 7.4)
5.321346
Log P
5.321346
Molar Refractivity
84.5409
Polarizability
31.715956
Polar Surface Area
72.12
Rotatable Bonds
5
Lipinski's Rule of Five
false
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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