Molecule

ID:64676

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClN₃O₂
Molecular Mass
197.57856
Exact Mass
196.99920406
Charge
0
InChI
InChI=1S/C7H4ClN3O2/c8-7-6-3-5(11(12)13)4-10(6)2-1-9-7/h1-4H
InChIKey
OTWHUHVUMPHTOY-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cn2c(c1)c(Cl)ncc2
Isomeric Smiles
c1(cc2n(c1)ccnc2Cl)[N+](=O)[O-]
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1562934
LogD (pH = 7.4)
1.1562934
Log P
1.1562934
Molar Refractivity
48.1704
Polarizability
17.87007
Polar Surface Area
60.44
Rotatable Bonds
1
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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