Molecule

ID:116987

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂O₂
Molecular Mass
184.5798
Exact Mass
184.00395509
Charge
0
InChI
InChI=1S/C7H5ClN2O2/c8-4-6-9-10-7(12-6)5-2-1-3-11-5/h1-3H,4H2
InChIKey
ITPFFLTUPKAJHE-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccco1
Isomeric Smiles
c1(nnc(o1)CCl)c1occc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.700111
LogD (pH = 7.4)
0.700111
Log P
0.700111
Molar Refractivity
53.67
Polarizability
16.383226
Polar Surface Area
52.06
Rotatable Bonds
2
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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