Molecule

ID:7624

General Information
Structure
MolImage
Molecular Formula
C₇H₃Cl₂NO₃
Molecular Mass
220.00962
Exact Mass
218.94899832
Charge
0
InChI
InChI=1S/C7H3Cl2NO3/c8-6-2-1-4(10(12)13)3-5(6)7(9)11/h1-3H
InChIKey
OGLKKYALUKXVPQ-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1ccc(c(c1)C(=O)Cl)Cl
Isomeric Smiles
c1(ccc(c(C(=O)Cl)c1)Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.7081873
LogD (pH = 7.4)
2.7081873
Log P
2.7081873
Molar Refractivity
48.298
Polarizability
18.076847
Polar Surface Area
60.21
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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