Molecule

ID:78432

General Information
Structure
MolImage
Molecular Formula
C₅H₂ClIN₂O₂
Molecular Mass
284.43905
Exact Mass
283.88495299
Charge
0
InChI
InChI=1S/C5H2ClIN2O2/c6-5-4(9(10)11)1-3(7)2-8-5/h1-2H
InChIKey
PIJMRJPJERUFNI-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(c(c1)[N+](=O)[O-])Cl
Isomeric Smiles
n1c(c(cc(c1)I)[N+](=O)[O-])Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.4487238
LogD (pH = 7.4)
2.4487238
Log P
2.4487238
Molar Refractivity
49.4502
Polarizability
18.912458
Polar Surface Area
56.03
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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