Molecule

ID:24915

General Information
Structure
MolImage
Molecular Formula
C₁₁H₉ClN₂O₂
Molecular Mass
236.65436
Exact Mass
236.03525522
Charge
0
InChI
InChI=1S/C11H9ClN2O2/c12-10-5-13-14(7-10)6-8-2-1-3-9(4-8)11(15)16/h1-5,7H,6H2,(H,15,16)
InChIKey
AOAWWPBKFRBPEP-UHFFFAOYSA-N
Canonic Smiles
Clc1cnn(c1)Cc1cccc(c1)C(=O)O
Isomeric Smiles
n1(ncc(c1)Cl)Cc1cc(C(=O)O)ccc1
Calculated Properties
JChem
Acid pKa
4.031395
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9074394
LogD (pH = 7.4)
-0.75382006
Log P
2.3872066
Molar Refractivity
71.635
Polarizability
22.766771
Polar Surface Area
55.12
Rotatable Bonds
3
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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