Molecule

ID:42726

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c10-6-8-11-12-9(13-8)7-4-2-1-3-5-7/h1-5H,6H2
InChIKey
AGLNTFQAHIRTFA-UHFFFAOYSA-N
Canonic Smiles
ClCc1nnc(o1)c1ccccc1
Isomeric Smiles
n1c(oc(n1)CCl)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6398643
LogD (pH = 7.4)
1.6398643
Log P
1.6398643
Molar Refractivity
61.2791
Polarizability
19.39055
Polar Surface Area
38.92
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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