Molecule

ID:60225

General Information
Structure
MolImage
Molecular Formula
C₁₀H₆ClNO₃
Molecular Mass
223.61254
Exact Mass
223.00362074
Charge
0
InChI
InChI=1S/C10H6ClNO3/c11-8(13)5-12-9(14)6-3-1-2-4-7(6)10(12)15/h1-4H,5H2
InChIKey
RHZBRCQIKQUQHQ-UHFFFAOYSA-N
Canonic Smiles
ClC(=O)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1cccc2c1C(=O)N(C2=O)CC(=O)Cl
Calculated Properties
JChem
Acid pKa
19.912136
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
0.9284121
LogD (pH = 7.4)
0.9284121
Log P
0.9284121
Molar Refractivity
54.1546
Polarizability
19.889076
Polar Surface Area
54.45
Rotatable Bonds
2
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
References
Bioactivity
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