Molecule

ID:77085

General Information
Structure
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Molecular Formula
C₆H₃Cl₂NO₂
Molecular Mass
191.99952
Exact Mass
190.9540837
Charge
0
InChI
InChI=1S/C6H3Cl2NO2/c7-4-2-1-3-5(6(4)8)9(10)11/h1-3H
InChIKey
CMVQZRLQEOAYSW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccc(c1Cl)Cl
Isomeric Smiles
[N+](=O)(c1c(c(ccc1)Cl)Cl)[O-]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.1213193
LogD (pH = 7.4)
3.1213193
Log P
3.1213193
Molar Refractivity
41.9881
Polarizability
16.165426
Polar Surface Area
43.14
Rotatable Bonds
1
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
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Molecule Details
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References
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Bioactivity
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