Molecule

ID:40863

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇Cl₂NO₅
Molecular Mass
292.07228
Exact Mass
290.97012769
Charge
0
InChI
InChI=1S/C10H7Cl2NO5/c1-4(14)5-6(11)7(12)8(13(15)16)10-9(5)17-2-3-18-10/h2-3H2,1H3
InChIKey
TZRNYIDMYLABGD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c2OCCOc2c(c(c1Cl)Cl)[N+](=O)[O-]
Isomeric Smiles
c1(c2c(c(c(c1Cl)Cl)C(=O)C)OCCO2)[N+](=O)[O-]
Calculated Properties
JChem
Acid pKa
14.518577
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
2.1920993
LogD (pH = 7.4)
2.1920993
Log P
2.1920993
Molar Refractivity
64.3525
Polarizability
24.391745
Polar Surface Area
81.35
Rotatable Bonds
2
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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