Molecule

ID:113953

General Information
Structure
MolImage
Molecular Formula
C₉H₆ClNO₂
Molecular Mass
195.60244
Exact Mass
195.00870612
Charge
0
InChI
InChI=1S/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3
InChIKey
NJOPQQPDPYWFFA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)C(=O)C(=O)N2C
Isomeric Smiles
C1(=O)N(c2c(C1=O)cc(cc2)Cl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.4196543
LogD (pH = 7.4)
1.4196543
Log P
1.4196543
Molar Refractivity
48.3957
Polarizability
18.297712
Polar Surface Area
37.38
Rotatable Bonds
0
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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