Molecule

ID:118682

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-6-2-3-8-12-9(11)7(5-14)10(15)13(8)4-6/h2-5H,1H3
InChIKey
IFIDKJSJJFREGQ-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)nc2n(c1=O)cc(cc2)C
Isomeric Smiles
n12c(=O)c(c(nc1ccc(c2)C)Cl)C=O
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.8793656
LogD (pH = 7.4)
0.8793656
Log P
0.8793656
Molar Refractivity
67.2102
Polarizability
20.895866
Polar Surface Area
49.74
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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