Molecule

ID:16622

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂
Molecular Mass
178.61828
Exact Mass
178.02977591
Charge
0
InChI
InChI=1S/C9H7ClN2/c1-6-9(10)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3
InChIKey
PXDLUYLWPJMGJA-UHFFFAOYSA-N
Canonic Smiles
Cc1nc2ccccc2nc1Cl
Isomeric Smiles
c12c(nc(c(n1)C)Cl)cccc2
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.2546346
LogD (pH = 7.4)
2.25467
Log P
2.2546704
Molar Refractivity
47.908
Polarizability
19.760649
Polar Surface Area
25.78
Rotatable Bonds
0
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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