Molecule

ID:77733

General Information
Structure
MolImage
Molecular Formula
C₆H₃ClN₂O₄
Molecular Mass
202.55202
Exact Mass
201.97813427
Charge
0
InChI
InChI=1S/C6H3ClN2O4/c7-4-1-2-5(8(10)11)6(3-4)9(12)13/h1-3H
InChIKey
QVQSOXMXXFZAKU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)[N+](=O)[O-])[N+](=O)[O-]
Isomeric Smiles
Clc1cc(c(cc1)[N+](=O)[O-])[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.457259
LogD (pH = 7.4)
2.457259
Log P
2.457259
Molar Refractivity
43.5038
Polarizability
16.231304
Polar Surface Area
86.28
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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