Molecule

ID:67344

General Information
Structure
MolImage
Molecular Formula
C₇H₂Cl₂N₂O₂
Molecular Mass
217.00898
Exact Mass
215.94933267
Charge
0
InChI
InChI=1S/C7H2Cl2N2O2/c8-5-1-2-6(11(12)13)4(3-10)7(5)9/h1-2H
InChIKey
RDFDRMZYAXQLRT-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(ccc(c1Cl)Cl)[N+](=O)[O-]
Isomeric Smiles
C(#N)c1c(c(ccc1[N+](=O)[O-])Cl)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.9774156
LogD (pH = 7.4)
2.9774156
Log P
2.9774156
Molar Refractivity
47.7097
Polarizability
18.03216
Polar Surface Area
66.93
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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