Molecule

ID:26937

General Information
Structure
MolImage
Molecular Formula
C₉H₉ClN₂O₂
Molecular Mass
212.63296
Exact Mass
212.03525522
Charge
0
InChI
InChI=1S/C9H9ClN2O2/c10-5-8(13)12-7-4-2-1-3-6(7)9(11)14/h1-4H,5H2,(H2,11,14)(H,12,13)
InChIKey
LCDQTZCLXUMOGO-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)Nc1ccccc1C(=O)N
Isomeric Smiles
c1(c(NC(=O)CCl)cccc1)C(=O)N
Calculated Properties
JChem
Acid pKa
12.134187
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.24894
LogD (pH = 7.4)
1.2489328
Log P
1.2489402
Molar Refractivity
54.7526
Polarizability
19.946266
Polar Surface Area
72.19
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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