Molecule

ID:78136

General Information
Structure
MolImage
Molecular Formula
C₈H₅Cl₂NO₄
Molecular Mass
250.0356
Exact Mass
248.95956301
Charge
0
InChI
InChI=1S/C8H5Cl2NO4/c1-15-8(12)7-5(9)2-4(11(13)14)3-6(7)10/h2-3H,1H3
InChIKey
IHHIKOHTZXBYOI-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1c(Cl)cc(cc1Cl)[N+](=O)[O-]
Isomeric Smiles
Clc1cc(cc(c1C(=O)OC)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.1247964
LogD (pH = 7.4)
3.1247964
Log P
3.1247964
Molar Refractivity
55.0176
Polarizability
20.691298
Polar Surface Area
72.12
Rotatable Bonds
3
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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