Molecule

ID:24993

General Information
Structure
MolImage
Molecular Formula
C₁₁H₈ClNO₂
Molecular Mass
221.63972
Exact Mass
221.02435618
Charge
0
InChI
InChI=1S/C11H8ClNO2/c1-6-4-9(11(14)15)8-5-7(12)2-3-10(8)13-6/h2-5H,1H3,(H,14,15)
InChIKey
GSWWVOHRAYFEHC-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc2c(c1)c(cc(n2)C)C(=O)O
Isomeric Smiles
c1(c2c(nc(c1)C)ccc(c2)Cl)C(=O)O
Calculated Properties
JChem
Acid pKa
3.589769
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.59467924
LogD (pH = 7.4)
-0.8309806
Log P
2.3856642
Molar Refractivity
56.6318
Polarizability
22.899487
Polar Surface Area
50.19
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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