Molecule

ID:52668

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-15-9(14)7-4-2-3-6-5-12-10(11)13-8(6)7/h2-5H,1H3
InChIKey
UGPLUBNCOISIQT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc2c1nc(Cl)nc2
Isomeric Smiles
c1cc(c2c(c1)cnc(n2)Cl)C(=O)OC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.3370898
LogD (pH = 7.4)
2.3370898
Log P
2.3370898
Molar Refractivity
56.3244
Polarizability
22.486425
Polar Surface Area
52.08
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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