Molecule

ID:41375

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉Cl₂NO₃
Molecular Mass
298.12146
Exact Mass
296.99594851
Charge
0
InChI
InChI=1S/C13H9Cl2NO3/c14-10-6-11(15)13(7-12(10)16(17)18)19-8-9-4-2-1-3-5-9/h1-7H,8H2
InChIKey
IEKKEZUAADAJGO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(Cl)c(cc1OCc1ccccc1)[N+](=O)[O-]
Isomeric Smiles
c1(c(cc(c(c1)OCc1ccccc1)Cl)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.6881213
LogD (pH = 7.4)
4.6881213
Log P
4.6881213
Molar Refractivity
74.0681
Polarizability
28.165594
Polar Surface Area
55.05
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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