Molecule

ID:113511

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇ClN₂O₂
Molecular Mass
222.62778
Exact Mass
222.01960515
Charge
0
InChI
InChI=1S/C10H7ClN2O2/c1-6-3-2-4-13-9(6)12-8(11)7(5-14)10(13)15/h2-5H,1H3
InChIKey
GRPNAYGQWRHKDA-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(Cl)nc2n(c1=O)cccc2C
Isomeric Smiles
n12c(nc(c(c1=O)C=O)Cl)c(ccc2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0315548
LogD (pH = 7.4)
1.0315548
Log P
1.0315548
Molar Refractivity
67.2853
Polarizability
20.895874
Polar Surface Area
49.74
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
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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