Molecule

ID:12837

General Information
Structure
MolImage
Molecular Formula
C₉H₇ClN₂O
Molecular Mass
194.61768
Exact Mass
194.02469053
Charge
0
InChI
InChI=1S/C9H7ClN2O/c1-13-9-7-5-3-2-4-6(7)8(10)11-12-9/h2-5H,1H3
InChIKey
GWYZIDACSVOFQB-UHFFFAOYSA-N
Canonic Smiles
COc1nnc(c2c1cccc2)Cl
Isomeric Smiles
c1ccc2c(c1)c(nnc2OC)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.026288
LogD (pH = 7.4)
2.0262883
Log P
2.0262883
Molar Refractivity
52.8574
Polarizability
20.521189
Polar Surface Area
35.01
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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