Molecule

ID:56294

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O
Molecular Mass
206.62838
Exact Mass
206.02469053
Charge
0
InChI
InChI=1S/C10H7ClN2O/c11-10(14)8-6-12-13(7-8)9-4-2-1-3-5-9/h1-7H
InChIKey
CMUHIEKMPFWFSV-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)c1cnn(c1)c1ccccc1
Isomeric Smiles
c1(cn(nc1)c1ccccc1)C(=O)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.249972
LogD (pH = 7.4)
2.2499769
Log P
2.2499769
Molar Refractivity
55.5344
Polarizability
21.15856
Polar Surface Area
34.89
Rotatable Bonds
2
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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