Molecule

ID:91020

General Information
Structure
Molecular Formula
C₁₀H₉ClN₂O
Molecular Mass
208.64426
Exact Mass
208.0403406
Charge
0
InChI
InChI=1S/C10H9ClN2O/c1-7-9(6-11)13-10(14-7)8-2-4-12-5-3-8/h2-5H,6H2,1H3
InChIKey
ZHKXUUIUQRTXIK-UHFFFAOYSA-N
Canonic Smiles
ClCc1nc(oc1C)c1ccncc1
Isomeric Smiles
n1c(c2ccncc2)oc(c1CCl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.5892776
LogD (pH = 7.4)
1.5904948
Log P
1.5905104
Molar Refractivity
64.2065
Polarizability
21.122011
Polar Surface Area
38.92
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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