Molecule

ID:79380

General Information
Structure
MolImage
Molecular Formula
C₁₅H₈Cl₃NO₄
Molecular Mass
372.58732
Exact Mass
370.95189078
Charge
0
InChI
InChI=1S/C15H8Cl3NO4/c16-10-2-5-14(13(18)8-10)23-15(20)6-1-9-7-11(19(21)22)3-4-12(9)17/h1-8H
InChIKey
KWBJNIPJXOSWBD-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(=O)/C=C/c1cc(ccc1Cl)[N+](=O)[O-]
Isomeric Smiles
[N+](=O)(c1cc(c(cc1)Cl)/C=C/C(=O)Oc1c(cc(cc1)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
5.9253902
LogD (pH = 7.4)
5.9253902
Log P
5.9253902
Molar Refractivity
89.3457
Polarizability
33.682514
Polar Surface Area
72.12
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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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