Molecule

ID:101192

General Information
Structure
MolImage
Molecular Formula
C₈H₆Cl₂N₂O
Molecular Mass
217.05204
Exact Mass
215.98571818
Charge
0
InChI
InChI=1S/C8H5ClN2O.ClH/c9-8(12)6-1-2-7-10-3-4-11(7)5-6;/h1-5H;1H
InChIKey
LHLAJCRPSZDOFF-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1ccc2n(c1)ccn2.Cl
Isomeric Smiles
c1(cn2c(ncc2)cc1)C(=O)Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.41446975
LogD (pH = 7.4)
0.9336877
Log P
0.950462
Molar Refractivity
47.0511
Polarizability
17.08063
Polar Surface Area
34.37
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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